@MOLECULE dimethyl 3,3'-[8-(2,2-difluorovinyl)-3,7,12,17-tetramethyl-13-vinyl-2,18-porphyrindiyl]dipropanoate 50 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 7.6906 -1.3358 2.5668 F 1 UNL1 -0.1452 2 F 8.2659 -1.6716 0.5699 F 1 UNL1 -0.1507 3 O -5.2740 0.0676 -1.8897 O.2 1 UNL1 -0.4760 4 O -5.9713 -0.8302 2.5299 O.2 2 UNL2 -0.4802 5 O -6.8869 -2.9459 -2.1016 O.3 1 UNL1 -0.2182 6 O -7.4581 1.6073 2.7798 O.3 1 UNL1 -0.2044 7 N 2.7687 -0.9642 -0.5724 N.2 1 UNL1 -0.3537 8 N 2.0697 2.0484 0.1217 N.ar 1 UNL1 -0.3236 9 N -0.1616 -1.6705 0.1286 N.ar 1 UNL1 -0.3574 10 N -0.9203 1.3348 -0.3421 N.2 1 UNL1 -0.3226 11 C -2.0199 -2.6537 -0.8774 C.ar 1 UNL1 -0.2204 12 C -2.7790 1.9501 0.9707 C.2 1 UNL1 -0.2077 13 C -1.4534 -1.5439 -0.0367 C.ar 1 UNL1 0.3515 14 C -0.8679 -3.4865 -1.2195 C.ar 1 UNL1 -0.5452 15 C -2.0265 0.8044 0.3878 C.2 1 UNL1 0.2932 16 C -1.9273 3.1261 0.7734 C.2 1 UNL1 -0.5444 17 C 0.3060 -2.7796 -0.6316 C.ar 1 UNL1 0.3522 18 C -0.8240 2.6154 -0.0979 C.2 1 UNL1 0.3280 19 C 2.6765 -2.2479 -0.3370 C.2 1 UNL1 0.3768 20 C -3.2833 -2.7685 -1.2186 C.3 1 UNL1 0.3535 21 C -3.9905 1.8897 1.4811 C.3 1 UNL1 0.3312 22 C 3.3230 1.9144 -0.2166 C.ar 1 UNL1 0.3447 23 C 1.5192 3.1697 -0.5640 C.ar 1 UNL1 0.1084 24 C 3.9263 -0.4451 0.0682 C.2 1 UNL1 0.1983 25 C -2.2957 -0.5082 0.5213 C.2 1 UNL1 -0.3234 26 C 3.8579 -2.7745 0.4310 C.2 1 UNL1 -0.6513 27 C 3.7968 3.0209 -1.1147 C.ar 1 UNL1 -0.6964 28 C 4.7382 -1.6155 0.5764 C.1 1 UNL1 0.2180 29 C 2.6427 3.8972 -1.2703 C.ar 1 UNL1 0.3921 30 C 1.6064 -3.1046 -0.7961 C.2 1 UNL1 -0.3858 31 C 0.2150 3.4722 -0.6462 C.2 1 UNL1 -0.1952 32 C 4.2146 0.8566 0.2257 C.2 1 UNL1 -0.2432 33 C -4.5105 -2.8418 -1.5192 C.1 1 UNL1 -0.5636 34 C -5.1633 1.8022 1.9435 C.1 1 UNL1 -0.5611 35 C -0.8299 -4.6011 -1.9258 C.3 1 UNL1 0.4480 36 C -2.0342 4.3407 1.2808 C.3 1 UNL1 0.4618 37 C 3.9995 -4.0032 0.8956 C.3 1 UNL1 0.5222 38 C 4.9948 3.1276 -1.6695 C.3 1 UNL1 0.5705 39 C 5.9749 -1.5781 0.9907 C.1 1 UNL1 -0.3644 40 C 2.5477 5.0601 -1.8809 C.1 1 UNL1 -0.7606 41 C -5.7642 -2.8860 -1.8263 C.1 1 UNL1 0.6065 42 C -6.3756 1.6847 2.3837 C.1 1 UNL1 0.6176 43 C 7.2209 -1.5284 1.3544 C.2 1 UNL1 0.3999 44 C 2.4261 6.1933 -2.4558 C.1 1 UNL1 0.3427 45 C -4.5332 0.6877 -2.4982 C.2 1 UNL1 0.4761 46 C -5.1550 -1.6213 2.6341 C.2 2 UNL2 0.4828 47 H -3.1655 -0.8567 1.0773 H 1 UNL1 0.1768 48 H 1.9099 -3.9985 -1.3321 H 1 UNL1 0.1722 49 H -0.1222 4.3701 -1.1745 H 1 UNL1 0.1849 50 H 5.1306 1.1787 0.7256 H 1 UNL1 0.1848 @BOND 1 45 3 2 2 44 40 3 3 5 41 1 4 35 14 1 5 40 29 1 6 41 33 3 7 38 27 1 8 33 20 1 9 48 30 1 10 29 27 ar 11 29 23 ar 12 14 11 ar 13 14 17 ar 14 20 11 1 15 49 31 1 16 27 22 ar 17 11 13 ar 18 30 17 2 19 30 19 1 20 31 23 1 21 31 18 2 22 17 9 ar 23 7 19 2 24 7 24 1 25 23 8 ar 26 10 18 1 27 10 15 2 28 19 26 1 29 22 8 ar 30 22 32 1 31 18 16 1 32 13 9 ar 33 13 25 2 34 24 32 2 35 24 28 1 36 32 50 1 37 15 25 1 38 15 12 1 39 26 28 2 40 26 37 1 41 25 47 1 42 2 43 1 43 28 39 2 44 16 12 2 45 16 36 1 46 12 21 1 47 39 43 2 48 43 1 1 49 21 34 1 50 34 42 3 51 42 6 1 52 4 46 2