@MOLECULE 71301233 33 33 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.1711 4.0128 -0.3883 Cl 1 noname -0.0904 2 N1 -2.5350 -4.3064 -2.0908 N.2 1 noname -0.2216 3 N2 -0.6777 -1.0079 0.4678 N.3 1 noname -0.0098 4 N3 -1.4734 -2.6549 -0.9673 N.2 1 noname -0.2092 5 N4 -1.4743 -2.7721 -3.3214 N.3 1 noname -0.1007 6 N5 -0.4668 -0.7752 -1.7800 N.3 1 noname -0.1250 7 C1 -3.0626 -4.9371 -3.2482 C.3 1 noname 0.0478 8 C2 -3.6567 -6.3255 -2.9717 C.3 1 noname -0.0428 9 C3 -4.1061 -4.0142 -3.9604 C.3 1 noname -0.0428 10 C4 0.0542 0.1459 0.5765 C.2 1 noname -0.0247 11 C5 -1.7997 -3.2562 -2.1079 C.2 1 noname -0.0144 12 C6 1.4424 0.1403 0.3107 C.2 1 noname -0.0458 13 C7 -0.6601 1.3597 0.5300 C.2 1 noname -0.0458 14 C8 -0.8853 -1.5192 -0.7655 C.2 1 noname -0.0925 15 C9 2.1075 1.3414 -0.0071 C.2 1 noname -0.0267 16 C10 0.0000 2.5505 0.2012 C.2 1 noname -0.0267 17 C11 1.3900 2.5561 -0.0367 C.2 1 noname -0.0351 18 H1 -2.2313 -5.1249 -3.9355 H 1 noname 0.0546 19 H2 -4.4064 -4.4359 -4.9198 H 1 noname 0.0252 20 H3 -3.9522 -6.7779 -3.9221 H 1 noname 0.0252 21 H4 -4.5295 -6.2473 -2.3240 H 1 noname 0.0252 22 H5 -2.9086 -6.9683 -2.5044 H 1 noname 0.0252 23 H6 -4.9888 -3.8781 -3.3348 H 1 noname 0.0252 24 H7 -3.7038 -3.0237 -4.1688 H 1 noname 0.0252 25 H8 -1.1178 -1.4015 1.2511 H 1 noname 0.1367 26 H9 1.9547 -0.7459 0.2304 H 1 noname 0.0639 27 H10 -1.6813 1.3594 0.6183 H 1 noname 0.0639 28 H11 3.1022 1.3215 -0.2553 H 1 noname 0.0638 29 H12 -0.5463 3.4100 0.0982 H 1 noname 0.0638 30 H13 -1.5020 -3.3648 -4.0978 H 1 noname 0.1273 31 H14 -1.3584 -1.8166 -3.4495 H 1 noname 0.1273 32 H15 -0.4137 -1.0854 -2.6786 H 1 noname 0.1268 33 H16 -0.9194 0.0825 -1.7603 H 1 noname 0.1268 @BOND 1 1 17 1 2 2 7 1 3 2 11 2 4 3 10 1 5 3 14 1 6 3 25 1 7 4 11 1 8 4 14 2 9 5 11 1 10 5 30 1 11 5 31 1 12 6 14 1 13 6 32 1 14 6 33 1 15 7 8 1 16 7 9 1 17 7 18 1 18 8 20 1 19 8 21 1 20 8 22 1 21 9 19 1 22 9 23 1 23 9 24 1 24 10 12 2 25 10 13 1 26 12 15 1 27 12 26 1 28 13 16 2 29 13 27 1 30 15 17 2 31 15 28 1 32 16 17 1 33 16 29 1 @SUBSTRUCTURE 1 noname 1