@MOLECULE FDBD00823 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3177 -1.6594 1.2673 O.2 1 UNK -0.2751 2 N 1.2272 0.4667 0.9297 N.am 1 UNK -0.2953 3 N1 -2.5612 1.5447 -0.2458 N.4 1 UNK 0.2382 4 N2 3.4230 -1.7256 -0.0315 N.4 1 UNK 0.2677 5 N3 4.7906 -0.5921 -1.3643 N.4 1 UNK 0.2665 6 C -1.2844 1.3530 0.1908 C.3 1 UNK -0.0076 7 C1 -0.2776 2.4128 0.4095 C.3 1 UNK 0.0069 8 C2 -1.0837 0.0099 0.4145 C.3 1 UNK 0.0863 9 C3 1.1081 1.7773 0.2584 C.3 1 UNK 0.0200 10 C4 -2.3081 -0.6534 0.1071 C.3 1 UNK 0.0183 11 C5 -3.2136 0.3319 -0.3063 C.3 1 UNK -0.0171 12 C6 0.1928 -0.4933 0.9021 C.2 1 UNK 0.2247 13 C7 2.5530 0.0900 1.3950 C.3 1 UNK 0.0629 14 C8 -3.1433 2.8198 -0.6084 C.3 1 UNK -0.0425 15 C9 -2.7428 -1.9951 0.1356 C.3 1 UNK -0.0442 16 C10 -4.5272 0.0378 -0.6903 C.3 1 UNK -0.0094 17 C11 3.4229 -0.4041 0.2698 C.3 1 UNK 0.0420 18 C12 -4.0541 -2.3017 -0.2458 C.3 1 UNK -0.0524 19 C13 -4.9311 -1.2991 -0.6523 C.3 1 UNK -0.0480 20 C14 4.2437 0.3304 -0.5176 C.3 1 UNK 0.0249 21 C15 4.5798 1.7611 -0.5832 C.3 1 UNK -0.0162 22 C16 4.2683 -1.8117 -1.0345 C.3 1 UNK -0.0155 23 H -2.9660 2.4651 -0.4170 H 1 UNK 0.2036 24 H1 2.4925 -2.0358 -0.3113 H 1 UNK 0.2075 25 H2 3.6845 -2.3135 0.7600 H 1 UNK 0.2075 26 H3 5.8047 -0.6065 -1.2558 H 1 UNK 0.2074 27 H4 4.5780 -0.3603 -2.3346 H 1 UNK 0.2074 28 H5 -0.5574 2.1354 0.2559 H 1 UNK 0.0859 29 H6 -0.3860 2.8211 1.3926 H 1 UNK 0.0335 30 H7 -0.4063 3.2040 -0.2993 H 1 UNK 0.0335 31 H8 -0.4425 -0.8188 0.6315 H 1 UNK 0.0455 32 H9 1.3086 1.6441 -0.7842 H 1 UNK 0.0466 33 H10 1.8110 2.4363 0.7237 H 1 UNK 0.0466 34 H11 -1.8886 -1.6030 0.3664 H 1 UNK 0.0365 35 H12 -4.2062 0.5167 -0.6605 H 1 UNK 0.0854 36 H13 2.4560 -0.6870 2.1242 H 1 UNK 0.0522 37 H14 3.0160 0.9580 1.8159 H 1 UNK 0.0522 38 H15 -3.3304 2.8398 -1.6617 H 1 UNK 0.0778 39 H16 -2.4658 3.6071 -0.3515 H 1 UNK 0.0778 40 H17 -4.0639 2.9548 -0.0800 H 1 UNK 0.0778 41 H18 -2.6221 -2.3403 1.1412 H 1 UNK 0.0270 42 H19 -2.1449 -2.4696 -0.6143 H 1 UNK 0.0270 43 H20 -4.6503 0.3803 -1.6965 H 1 UNK 0.0320 44 H21 -5.1381 0.5257 0.0402 H 1 UNK 0.0320 45 H22 3.1727 0.5106 0.7654 H 1 UNK 0.0925 46 H23 -4.5107 -2.7851 0.5925 H 1 UNK 0.0265 47 H24 -3.9142 -2.8720 -1.1403 H 1 UNK 0.0265 48 H25 -5.2426 -1.5512 -1.6444 H 1 UNK 0.0267 49 H26 -5.6670 -1.3008 0.1245 H 1 UNK 0.0267 50 H27 4.1510 1.3404 -0.1768 H 1 UNK 0.0906 51 H28 5.2841 1.9262 -1.3716 H 1 UNK 0.0286 52 H29 5.0075 2.0701 0.3477 H 1 UNK 0.0286 53 H30 3.6922 2.3276 -0.7734 H 1 UNK 0.0286 54 H31 3.7568 -2.2109 -1.8853 H 1 UNK 0.1433 55 H32 5.0743 -2.4491 -0.7364 H 1 UNK 0.1433 @BOND 1 1 12 2 2 2 9 1 3 2 12 am 4 2 13 1 5 3 6 1 6 3 11 1 7 3 14 1 8 4 17 1 9 4 22 1 10 5 20 1 11 5 22 1 12 6 7 1 13 6 8 1 14 7 9 1 15 8 10 1 16 8 12 1 17 10 11 1 18 10 15 1 19 11 16 1 20 13 17 1 21 15 18 1 22 16 19 1 23 17 20 1 24 18 19 1 25 20 21 1 26 3 23 1 27 4 24 1 28 4 25 1 29 5 26 1 30 5 27 1 31 6 28 1 32 7 29 1 33 7 30 1 34 8 31 1 35 9 32 1 36 9 33 1 37 10 34 1 38 11 35 1 39 13 36 1 40 13 37 1 41 14 38 1 42 14 39 1 43 14 40 1 44 15 41 1 45 15 42 1 46 16 43 1 47 16 44 1 48 17 45 1 49 18 46 1 50 18 47 1 51 19 48 1 52 19 49 1 53 20 50 1 54 21 51 1 55 21 52 1 56 21 53 1 57 22 54 1 58 22 55 1