@MOLECULE FDBD02913 53 53 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.9357 0.9637 0.1393 C.3 1 UNK -0.0170 2 C1 -0.4432 -0.4606 0.1376 C.2 1 UNK 0.1072 3 N 0.0296 -0.9827 1.2224 N.2 1 UNK -0.0879 4 O 0.1908 -0.1842 2.3806 O.2 1 UNK -0.3968 5 C2 0.8260 -0.8592 3.4682 C.3 1 UNK 0.1072 6 C3 -0.5003 -1.2598 -1.1022 C.2 1 UNK 0.1507 7 N1 -0.8682 -0.7009 -2.2224 N.2 1 UNK -0.0816 8 O1 -1.0639 0.7002 -2.2837 O.2 1 UNK -0.3965 9 C4 -1.4650 1.1752 -3.5704 C.3 1 UNK 0.1072 10 C5 -0.1413 -2.6915 -1.0746 C.2 1 UNK 0.1073 11 N2 0.1418 -3.2657 0.0492 N.2 1 UNK -0.0873 12 O2 0.5939 -4.6075 0.0645 O.2 1 UNK -0.3887 13 C6 0.9776 -5.0768 1.3586 C.3 1 UNK 0.1435 14 C7 1.5411 -6.4695 1.2411 C.ar 1 UNK 0.0016 15 C8 1.5900 -7.0942 0.0115 C.ar 1 UNK -0.0546 16 C9 2.1070 -8.3725 -0.0979 C.ar 1 UNK -0.0614 17 C10 2.5780 -9.0327 1.0233 C.ar 1 UNK -0.0611 18 C11 2.5345 -8.4186 2.2579 C.ar 1 UNK -0.0519 19 C12 2.0195 -7.1275 2.3737 C.ar 1 UNK 0.0151 20 C13 1.9704 -6.4622 3.6967 C.2 1 UNK 0.1714 21 N3 1.2775 -6.9884 4.6641 N.2 1 UNK -0.0795 22 O3 0.6440 -8.2415 4.4810 O.2 1 UNK -0.3965 23 C14 -0.1728 -8.6462 5.5816 C.3 1 UNK 0.1072 24 C15 2.7101 -5.1979 3.9180 C.2 1 UNK 0.2660 25 O4 3.4345 -4.7574 3.0474 O.2 1 UNK -0.2684 26 N4 2.5795 -4.5361 5.0848 N.am 1 UNK -0.3131 27 C16 3.3110 -3.2858 5.3036 C.3 1 UNK 0.0004 28 C17 -0.1047 -3.4839 -2.3560 C.3 1 UNK -0.0170 29 H -0.1474 1.6211 -0.2274 H 1 UNK 0.0294 30 H1 -1.8087 1.0470 -0.5080 H 1 UNK 0.0294 31 H2 -1.2071 1.2530 1.1545 H 1 UNK 0.0294 32 H3 1.8506 -1.1087 3.1923 H 1 UNK 0.0687 33 H4 0.8333 -0.2104 4.3441 H 1 UNK 0.0687 34 H5 0.2787 -1.7734 3.6979 H 1 UNK 0.0687 35 H6 -0.6996 0.9249 -4.3050 H 1 UNK 0.0687 36 H7 -2.4074 0.7062 -3.8533 H 1 UNK 0.0687 37 H8 -1.5940 2.2570 -3.5343 H 1 UNK 0.0687 38 H9 1.7343 -4.4127 1.7763 H 1 UNK 0.0775 39 H10 0.1059 -5.0916 2.0129 H 1 UNK 0.0775 40 H11 1.2236 -6.5841 -0.8671 H 1 UNK 0.0622 41 H12 2.1429 -8.8575 -1.0622 H 1 UNK 0.0618 42 H13 2.9803 -10.0308 0.9317 H 1 UNK 0.0618 43 H14 2.9020 -8.9350 3.1323 H 1 UNK 0.0624 44 H15 -0.5518 -9.6523 5.4021 H 1 UNK 0.0687 45 H16 0.4202 -8.6391 6.4961 H 1 UNK 0.0687 46 H17 -1.0098 -7.9559 5.6859 H 1 UNK 0.0687 47 H18 2.0013 -4.8877 5.7797 H 1 UNK 0.1487 48 H19 4.3820 -3.4730 5.2254 H 1 UNK 0.0426 49 H20 3.0141 -2.5548 4.5516 H 1 UNK 0.0426 50 H21 3.0813 -2.8995 6.2966 H 1 UNK 0.0426 51 H22 0.8943 -3.4290 -2.7887 H 1 UNK 0.0294 52 H23 -0.3534 -4.5243 -2.1469 H 1 UNK 0.0294 53 H24 -0.8283 -3.0715 -3.0590 H 1 UNK 0.0294 @BOND 1 1 2 1 2 1 29 1 3 1 30 1 4 1 31 1 5 2 3 2 6 2 6 1 7 3 4 1 8 4 5 1 9 5 32 1 10 5 33 1 11 5 34 1 12 6 7 2 13 6 10 1 14 7 8 1 15 8 9 1 16 9 35 1 17 9 36 1 18 9 37 1 19 10 11 2 20 10 28 1 21 11 12 1 22 12 13 1 23 13 14 1 24 13 38 1 25 13 39 1 26 14 19 ar 27 14 15 ar 28 15 16 ar 29 15 40 1 30 16 17 ar 31 16 41 1 32 17 18 ar 33 17 42 1 34 18 19 ar 35 18 43 1 36 19 20 1 37 20 21 2 38 20 24 1 39 21 22 1 40 22 23 1 41 23 44 1 42 23 45 1 43 23 46 1 44 24 25 2 45 24 26 am 46 26 27 1 47 26 47 1 48 27 48 1 49 27 49 1 50 27 50 1 51 28 51 1 52 28 52 1 53 28 53 1