@MOLECULE DB06764 31 33 1 SMALL USER_CHARGES @ATOM 1 N1 3.6357 0.7989 -0.1066 N.2 1 noname -0.2662 2 C1 2.4222 1.0503 0.1462 C.2 1 noname -0.0708 3 C2 4.4734 1.3438 0.8371 C.3 1 noname 0.0534 4 N2 2.2495 1.7108 1.2706 N.3 1 noname -0.1294 5 C3 1.3754 0.5248 -0.6995 C.3 1 noname 0.0365 6 C4 3.5067 1.9948 1.8358 C.3 1 noname 0.0208 7 C5 0.4780 -0.4189 0.0491 C.2 1 noname -0.0542 8 C6 0.6449 1.7098 -1.4029 C.3 1 noname -0.0394 9 C7 -0.9497 -0.4335 -0.1454 C.2 1 noname -0.0503 10 C8 1.0767 -1.3542 0.9755 C.2 1 noname -0.0559 11 C9 -0.7069 1.3137 -2.0391 C.3 1 noname -0.0482 12 C10 -1.7832 -1.3243 0.5944 C.2 1 noname -0.0632 13 C11 -1.6355 0.4900 -1.1052 C.3 1 noname 0.0074 14 C12 0.2477 -2.2254 1.7047 C.2 1 noname -0.0676 15 C13 -1.1651 -2.2127 1.5176 C.2 1 noname -0.0629 16 H1 4.9850 0.5075 1.3136 H 1 noname 0.0528 17 H2 5.0495 2.1162 0.3275 H 1 noname 0.0528 18 H3 1.3360 1.9514 1.6279 H 1 noname 0.1293 19 H4 1.8584 -0.1128 -1.4400 H 1 noname 0.0428 20 H5 3.5547 1.4646 2.7869 H 1 noname 0.0451 21 H6 3.6301 3.0775 1.8086 H 1 noname 0.0451 22 H7 0.4028 2.4244 -0.6163 H 1 noname 0.0277 23 H8 1.2853 2.0089 -2.2327 H 1 noname 0.0277 24 H9 2.1554 -1.4025 1.1246 H 1 noname 0.0625 25 H10 -1.2297 2.2516 -2.2264 H 1 noname 0.0270 26 H11 -0.4585 0.6529 -2.8697 H 1 noname 0.0270 27 H12 -2.8646 -1.3260 0.4578 H 1 noname 0.0625 28 H13 -2.2117 -0.1677 -1.7559 H 1 noname 0.0316 29 H14 -2.1469 1.2149 -0.4720 H 1 noname 0.0316 30 H15 0.7019 -2.9134 2.4178 H 1 noname 0.0622 31 H16 -1.7870 -2.8979 2.0936 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 5 2 1 5 3 6 1 6 4 6 1 7 5 7 1 8 5 8 1 9 7 9 2 10 7 10 1 11 8 11 1 12 9 12 1 13 9 13 1 14 10 14 2 15 11 13 1 16 12 15 2 17 14 15 1 18 3 16 1 19 3 17 1 20 4 18 1 21 5 19 1 22 6 20 1 23 6 21 1 24 8 22 1 25 8 23 1 26 10 24 1 27 11 25 1 28 11 26 1 29 12 27 1 30 13 28 1 31 13 29 1 32 14 30 1 33 15 31 1 @SUBSTRUCTURE 1 noname 1