# Copyright (c) 2016-2019,<NAME>.

# All rights reserved.

# Redistribution and use in source and binary forms, with or without
# modification, are permitted provided that the following conditions are
# met:

#     * Redistributions of source code must retain the above copyright
#        notice, this list of conditions and the following disclaimer.

#     * Redistributions in binary form must reproduce the above
#        copyright notice, this list of conditions and the following
#        disclaimer in the documentation and/or other materials provided
#        with the distribution.

#     * Neither the name of the molmolpy Developers nor the names of any
#        contributors may be used to endorse or promote products derived
#        from this software without specific prior written permission.

# THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
# "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
# LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
# A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
# OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
# SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
# LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
# DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
# THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
# (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
# OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.


quercetin = {'O17': {'ring': 'C',
                     'pos': 1},
             'C7': {'ring': 'C',
                    'pos': 2},
             'C8': {'ring': 'C',
                    'pos': 3},
             'C9': {'ring': 'C',
                    'pos': 4},
             'C11': {'ring': 'A-C',
                     'pos': 10},
             'C16': {'ring': 'A-C',
                     'pos': 9},
             'C15': {'ring': 'A',
                     'pos': 8},
             'C14': {'ring': 'A',
                     'pos': 7},
             'C13': {'ring': 'A',
                     'pos': 6},
             'C12': {'ring': 'A',
                     'pos': 5},
             'C6': {'ring': 'B',
                    'pos': "1'"},
             'C5': {'ring': 'B',
                    'pos': "2'"},
             'C4': {'ring': 'B',
                    'pos': "3'"},
             'C3': {'ring': 'B',
                    'pos': "4'"},
             'C2': {'ring': 'B',
                    'pos': "5'"},
             'C1': {'ring': 'B',
                    'pos': "6'"},
             'O21': {'ring': 'B',
                     'pos': "3'"},
             'O22': {'ring': 'B',
                     'pos': "4'"},
             'H31': {'ring': 'B',
                     'pos': "3'"},
             'H32': {'ring': 'B',
                     'pos': "4'"},
             'H24': {'ring': 'B',
                     'pos': "5'"},
             'H23': {'ring': 'B',
                     'pos': "6'"},
             'H25': {'ring': 'B',
                     'pos': "2'"},
             'O20': {'ring': 'C',
                     'pos': 3},
             'H30': {'ring': 'C',
                     'pos': 3},
             'O10': {'ring': 'C',
                     'pos': 4},
             'O19': {'ring': 'A',
                     'pos': 5},
             'H29': {'ring': 'A',
                     'pos': 5},
             'H26': {'ring': 'A',
                     'pos': 6},
             'O18': {'ring': 'A',
                     'pos': 7},
             'H28': {'ring': 'A',
                     'pos': 7},
             'H27': {'ring': 'A',
                     'pos': 8},
             }

# Copyright (c) 2016-2019,<NAME>.

# All rights reserved.

# Redistribution and use in source and binary forms, with or without
# modification, are permitted provided that the following conditions are
# met:

#     * Redistributions of source code must retain the above copyright
#        notice, this list of conditions and the following disclaimer.

#     * Redistributions in binary form must reproduce the above
#        copyright notice, this list of conditions and the following
#        disclaimer in the documentation and/or other materials provided
#        with the distribution.

#     * Neither the name of the molmolpy Developers nor the names of any
#        contributors may be used to endorse or promote products derived
#        from this software without specific prior written permission.

# THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
# "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
# LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
# A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
# OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
# SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
# LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
# DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
# THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
# (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
# OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.


quercetin = {'O17': {'ring': 'C',
                     'pos': 1},
             'C7': {'ring': 'C',
                    'pos': 2},
             'C8': {'ring': 'C',
                    'pos': 3},
             'C9': {'ring': 'C',
                    'pos': 4},
             'C11': {'ring': 'A-C',
                     'pos': 10},
             'C16': {'ring': 'A-C',
                     'pos': 9},
             'C15': {'ring': 'A',
                     'pos': 8},
             'C14': {'ring': 'A',
                     'pos': 7},
             'C13': {'ring': 'A',
                     'pos': 6},
             'C12': {'ring': 'A',
                     'pos': 5},
             'C6': {'ring': 'B',
                    'pos': "1'"},
             'C5': {'ring': 'B',
                    'pos': "2'"},
             'C4': {'ring': 'B',
                    'pos': "3'"},
             'C3': {'ring': 'B',
                    'pos': "4'"},
             'C2': {'ring': 'B',
                    'pos': "5'"},
             'C1': {'ring': 'B',
                    'pos': "6'"},
             'O21': {'ring': 'B',
                     'pos': "3'"},
             'O22': {'ring': 'B',
                     'pos': "4'"},
             'H31': {'ring': 'B',
                     'pos': "3'"},
             'H32': {'ring': 'B',
                     'pos': "4'"},
             'H24': {'ring': 'B',
                     'pos': "5'"},
             'H23': {'ring': 'B',
                     'pos': "6'"},
             'H25': {'ring': 'B',
                     'pos': "2'"},
             'O20': {'ring': 'C',
                     'pos': 3},
             'H30': {'ring': 'C',
                     'pos': 3},
             'O10': {'ring': 'C',
                     'pos': 4},
             'O19': {'ring': 'A',
                     'pos': 5},
             'H29': {'ring': 'A',
                     'pos': 5},
             'H26': {'ring': 'A',
                     'pos': 6},
             'O18': {'ring': 'A',
                     'pos': 7},
             'H28': {'ring': 'A',
                     'pos': 7},
             'H27': {'ring': 'A',
                     'pos': 8},
             }

# Copyright (c) 2016-2019,<NAME>. # All rights reserved. # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions are # met: #     * Redistributions of source code must retain the above copyright #        notice, this list of conditions and the following disclaimer. #     * Redistributions in binary form must reproduce the above #        copyright notice, this list of conditions and the following #        disclaimer in the documentation and/or other materials provided #        with the distribution. #     * Neither the name of the molmolpy Developers nor the names of any #        contributors may be used to endorse or promote products derived #        from this software without specific prior written permission. # THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS # "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT # LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR # A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT # OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, # SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT # LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, # DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY # THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT # (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE # OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.