@MOLECULE FDBD01962 53 52 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.2315 2.8347 -1.8611 C.3 1 UNK -0.0653 2 C1 1.2432 1.3568 -1.4654 C.3 1 UNK -0.0559 3 C2 1.6771 0.5112 -2.6644 C.3 1 UNK -0.0533 4 C3 1.6888 -0.9667 -2.2687 C.3 1 UNK -0.0531 5 C4 2.1227 -1.8123 -3.4677 C.3 1 UNK -0.0530 6 C5 2.1344 -3.2902 -3.0720 C.3 1 UNK -0.0528 7 C6 2.5683 -4.1357 -4.2709 C.3 1 UNK -0.0496 8 C7 2.5799 -5.6136 -3.8752 C.3 1 UNK -0.0348 9 C8 3.0074 -6.4465 -5.0562 C.2 1 UNK -0.0879 10 C9 3.9944 -7.2990 -4.9336 C.2 1 UNK -0.0879 11 C10 4.5919 -7.5699 -3.5768 C.3 1 UNK -0.0348 12 C11 4.6015 -9.0774 -3.3155 C.3 1 UNK -0.0496 13 C12 5.2081 -9.3523 -1.9381 C.3 1 UNK -0.0528 14 C13 5.2177 -10.8598 -1.6767 C.3 1 UNK -0.0530 15 C14 5.8243 -11.1348 -0.2993 C.3 1 UNK -0.0527 16 C15 5.8339 -12.6423 -0.0380 C.3 1 UNK -0.0480 17 C16 6.4405 -12.9172 1.3395 C.3 1 UNK -0.0132 18 C17 6.4499 -14.4021 1.5969 C.2 1 UNK 0.0417 19 O 6.0159 -15.1623 0.7641 O.co2 1 UNK -0.5498 20 O1 6.9404 -14.8800 2.7513 O.co2 1 UNK -0.5498 21 H 0.9281 3.4260 -1.0226 H 1 UNK 0.0230 22 H1 0.5452 2.9823 -2.6687 H 1 UNK 0.0230 23 H2 2.2130 3.1293 -2.1688 H 1 UNK 0.0230 24 H3 0.2617 1.0622 -1.1577 H 1 UNK 0.0263 25 H4 1.9295 1.2092 -0.6578 H 1 UNK 0.0263 26 H5 2.6586 0.8058 -2.9721 H 1 UNK 0.0265 27 H6 0.9908 0.6588 -3.4720 H 1 UNK 0.0265 28 H7 0.7073 -1.2613 -1.9610 H 1 UNK 0.0265 29 H8 2.3751 -1.1143 -1.4611 H 1 UNK 0.0265 30 H9 3.1042 -1.5177 -3.7754 H 1 UNK 0.0265 31 H10 1.4364 -1.6647 -4.2753 H 1 UNK 0.0265 32 H11 1.1529 -3.5848 -2.7643 H 1 UNK 0.0265 33 H12 2.8207 -3.4378 -2.2644 H 1 UNK 0.0265 34 H13 3.5499 -3.8411 -4.5785 H 1 UNK 0.0268 35 H14 1.8821 -3.9881 -5.0785 H 1 UNK 0.0268 36 H15 1.5983 -5.9082 -3.5676 H 1 UNK 0.0307 37 H16 3.2661 -5.7612 -3.0676 H 1 UNK 0.0307 38 H17 2.5225 -6.3452 -5.9616 H 1 UNK 0.0569 39 H18 4.3628 -7.7851 -5.7661 H 1 UNK 0.0569 40 H19 4.0071 -7.0814 -2.8256 H 1 UNK 0.0307 41 H20 5.5942 -7.1964 -3.5475 H 1 UNK 0.0307 42 H21 5.1863 -9.5659 -4.0667 H 1 UNK 0.0268 43 H22 3.5992 -9.4509 -3.3449 H 1 UNK 0.0268 44 H23 4.6233 -8.8638 -1.1869 H 1 UNK 0.0265 45 H24 6.2104 -8.9788 -1.9088 H 1 UNK 0.0265 46 H25 5.8025 -11.3483 -2.4279 H 1 UNK 0.0265 47 H26 4.2154 -11.2332 -1.7060 H 1 UNK 0.0265 48 H27 5.2395 -10.6463 0.4519 H 1 UNK 0.0265 49 H28 6.8266 -10.7613 -0.2700 H 1 UNK 0.0265 50 H29 6.4187 -13.1308 -0.7892 H 1 UNK 0.0269 51 H30 4.8316 -13.0158 -0.0674 H 1 UNK 0.0269 52 H31 5.8557 -12.4287 2.0907 H 1 UNK 0.0325 53 H32 7.4428 -12.5437 1.3689 H 1 UNK 0.0325 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 2 10 10 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 14 15 1 15 15 16 1 16 16 17 1 17 17 18 1 18 18 19 ar 19 18 20 ar 20 1 21 1 21 1 22 1 22 1 23 1 23 2 24 1 24 2 25 1 25 3 26 1 26 3 27 1 27 4 28 1 28 4 29 1 29 5 30 1 30 5 31 1 31 6 32 1 32 6 33 1 33 7 34 1 34 7 35 1 35 8 36 1 36 8 37 1 37 9 38 1 38 10 39 1 39 11 40 1 40 11 41 1 41 12 42 1 42 12 43 1 43 13 44 1 44 13 45 1 45 14 46 1 46 14 47 1 47 15 48 1 48 15 49 1 49 16 50 1 50 16 51 1 51 17 52 1 52 17 53 1