@MOLECULE 72941630 30 29 1 SMALL USER_CHARGES @ATOM 1 N1 -2.6221 -0.0727 -0.4539 N.3 1 noname -0.3093 2 N2 3.4372 -1.1684 0.1561 N.3 1 noname -0.3093 3 C1 1.0413 -1.0216 -0.2996 C.3 1 noname -0.0392 4 C2 -0.2262 -0.2195 0.0018 C.3 1 noname -0.0392 5 C3 -1.4109 -0.8392 -0.7419 C.3 1 noname -0.0023 6 C4 2.2261 -0.4019 0.4441 C.3 1 noname -0.0023 7 C5 -3.7542 -0.6650 -1.1646 C.3 1 noname -0.0136 8 C6 -2.4400 1.3097 -0.8934 C.3 1 noname -0.0136 9 C7 4.5693 -0.5762 0.8668 C.3 1 noname -0.0136 10 C8 3.2551 -2.5508 0.5956 C.3 1 noname -0.0136 11 H1 0.9056 -2.0523 0.0280 H 1 noname 0.0280 12 H2 1.2361 -1.0039 -1.3720 H 1 noname 0.0280 13 H3 -0.4209 -0.2372 1.0741 H 1 noname 0.0280 14 H4 -0.0904 0.8112 -0.3258 H 1 noname 0.0280 15 H5 2.0313 -0.4196 1.5165 H 1 noname 0.0430 16 H6 2.3618 0.6288 0.1165 H 1 noname 0.0430 17 H7 -1.5467 -1.8699 -0.4143 H 1 noname 0.0430 18 H8 -1.2162 -0.8215 -1.8143 H 1 noname 0.0430 19 H9 -4.6572 -0.0935 -0.9498 H 1 noname 0.0394 20 H10 -3.8899 -1.6956 -0.8369 H 1 noname 0.0394 21 H11 4.1581 -3.1223 0.3808 H 1 noname 0.0394 22 H12 2.4111 -2.9923 0.0657 H 1 noname 0.0394 23 H13 3.0604 -2.5685 1.6679 H 1 noname 0.0394 24 H14 5.4723 -1.1476 0.6520 H 1 noname 0.0394 25 H15 4.3746 -0.5939 1.9391 H 1 noname 0.0394 26 H16 4.7051 0.4545 0.5391 H 1 noname 0.0394 27 H17 -3.3430 1.8812 -0.6786 H 1 noname 0.0394 28 H18 -2.2453 1.3274 -1.9657 H 1 noname 0.0394 29 H19 -1.5960 1.7512 -0.3635 H 1 noname 0.0394 30 H20 -3.5594 -0.6473 -2.2369 H 1 noname 0.0394 @BOND 1 1 5 1 2 1 7 1 3 1 8 1 4 2 6 1 5 2 9 1 6 2 10 1 7 3 4 1 8 3 6 1 9 3 11 1 10 3 12 1 11 4 5 1 12 4 13 1 13 4 14 1 14 5 17 1 15 5 18 1 16 6 15 1 17 6 16 1 18 7 19 1 19 7 20 1 20 7 30 1 21 8 27 1 22 8 28 1 23 8 29 1 24 9 24 1 25 9 25 1 26 9 26 1 27 10 21 1 28 10 22 1 29 10 23 1 @SUBSTRUCTURE 1 noname 1