@MOLECULE FDBD03159 58 58 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0653 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK -0.0559 3 C2 0.7182 -0.4975 -1.2568 C.3 1 UNK -0.0533 4 C3 0.7390 -2.0273 -1.2652 C.3 1 UNK -0.0531 5 C4 1.4551 -2.5207 -2.5240 C.3 1 UNK -0.0531 6 C5 1.4758 -4.0506 -2.5324 C.3 1 UNK -0.0531 7 C6 2.1920 -4.5440 -3.7912 C.3 1 UNK -0.0531 8 C7 2.2127 -6.0738 -3.7996 C.3 1 UNK -0.0531 9 C8 2.9289 -6.5673 -5.0584 C.3 1 UNK -0.0529 10 C9 2.9496 -8.0971 -5.0668 C.3 1 UNK -0.0483 11 C10 3.6658 -8.5905 -6.3257 C.3 1 UNK -0.0125 12 C11 3.6865 -10.1203 -6.3341 C.3 1 UNK -0.0317 13 N 4.3741 -10.5941 -7.5427 N.4 1 UNK 0.2389 14 C12 5.7986 -10.2317 -7.5147 C.3 1 UNK -0.0052 15 C13 6.4621 -10.6906 -8.8159 C.3 1 UNK 0.0961 16 C14 7.9608 -10.3883 -8.7594 C.3 1 UNK -0.0337 17 O 6.2644 -12.0981 -8.9753 O.3 1 UNK -0.3634 18 C15 4.8883 -12.4862 -9.0073 C.3 1 UNK 0.0961 19 C16 4.7895 -14.0068 -9.1452 C.3 1 UNK -0.0337 20 C17 4.2089 -12.0455 -7.7081 C.3 1 UNK -0.0052 21 H -0.5195 1.8709 0.8908 H 1 UNK 0.0230 22 H1 -0.5363 1.8802 -0.8564 H 1 UNK 0.0230 23 H2 0.9851 1.8962 0.0028 H 1 UNK 0.0230 24 H3 -1.0017 -0.3745 0.0096 H 1 UNK 0.0263 25 H4 0.5197 -0.3585 0.8688 H 1 UNK 0.0263 26 H5 1.7220 -0.1271 -1.2644 H 1 UNK 0.0265 27 H6 0.2006 -0.1431 -2.1236 H 1 UNK 0.0265 28 H7 -0.2648 -2.3977 -1.2576 H 1 UNK 0.0265 29 H8 1.2566 -2.3817 -0.3984 H 1 UNK 0.0265 30 H9 2.4589 -2.1504 -2.5316 H 1 UNK 0.0265 31 H10 0.9376 -2.1662 -3.3909 H 1 UNK 0.0265 32 H11 0.4720 -4.4209 -2.5249 H 1 UNK 0.0265 33 H12 1.9932 -4.4051 -1.6655 H 1 UNK 0.0265 34 H13 3.1958 -4.1737 -3.7987 H 1 UNK 0.0265 35 H14 1.6746 -4.1895 -4.6581 H 1 UNK 0.0265 36 H15 1.2089 -6.4441 -3.7920 H 1 UNK 0.0265 37 H16 2.7302 -6.4283 -2.9327 H 1 UNK 0.0265 38 H17 3.9327 -6.1970 -5.0660 H 1 UNK 0.0265 39 H18 2.4114 -6.2128 -5.9253 H 1 UNK 0.0265 40 H19 1.9458 -8.4674 -5.0592 H 1 UNK 0.0267 41 H20 3.4671 -8.4516 -4.1999 H 1 UNK 0.0267 42 H21 4.6696 -8.2202 -6.3333 H 1 UNK 0.0317 43 H22 3.1483 -8.2360 -7.1926 H 1 UNK 0.0317 44 H23 2.6827 -10.4906 -6.3265 H 1 UNK 0.0814 45 H24 4.2040 -10.4748 -5.4672 H 1 UNK 0.0814 46 H25 3.9462 -10.1335 -8.3459 H 1 UNK 0.2035 47 H26 6.2730 -10.7100 -6.6834 H 1 UNK 0.0840 48 H27 5.8971 -9.1708 -7.4164 H 1 UNK 0.0840 49 H28 6.0266 -10.1709 -9.6437 H 1 UNK 0.0647 50 H29 8.3984 -10.9071 -7.9322 H 1 UNK 0.0256 51 H30 8.1080 -9.3354 -8.6383 H 1 UNK 0.0256 52 H31 8.4242 -10.7110 -9.6682 H 1 UNK 0.0256 53 H32 4.4038 -12.0223 -9.8409 H 1 UNK 0.0647 54 H33 5.2735 -14.4727 -8.3124 H 1 UNK 0.0256 55 H34 5.2661 -14.3144 -10.0525 H 1 UNK 0.0256 56 H35 3.7598 -14.2968 -9.1672 H 1 UNK 0.0256 57 H36 3.1667 -12.2842 -7.7507 H 1 UNK 0.0840 58 H37 4.6552 -12.5542 -6.8793 H 1 UNK 0.0840 @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 1 10 10 11 1 11 11 12 1 12 12 13 1 13 13 20 1 14 13 14 1 15 14 15 1 16 15 16 1 17 15 17 1 18 17 18 1 19 18 19 1 20 18 20 1 21 1 21 1 22 1 22 1 23 1 23 1 24 2 24 1 25 2 25 1 26 3 26 1 27 3 27 1 28 4 28 1 29 4 29 1 30 5 30 1 31 5 31 1 32 6 32 1 33 6 33 1 34 7 34 1 35 7 35 1 36 8 36 1 37 8 37 1 38 9 38 1 39 9 39 1 40 10 40 1 41 10 41 1 42 11 42 1 43 11 43 1 44 12 44 1 45 12 45 1 46 13 46 1 47 14 47 1 48 14 48 1 49 15 49 1 50 16 50 1 51 16 51 1 52 16 52 1 53 18 53 1 54 19 54 1 55 19 55 1 56 19 56 1 57 20 57 1 58 20 58 1