@MOLECULE 55295881 29 29 1 SMALL USER_CHARGES @ATOM 1 S1 -0.0290 0.2481 -0.1683 S.3 1 noname -0.2311 2 N1 1.1182 2.3583 -0.2690 N.2 1 noname -0.2307 3 C1 3.4482 1.7393 -0.6410 C.3 1 noname 0.0446 4 C2 2.0501 1.3682 -0.4432 C.2 1 noname 0.0218 5 C3 1.7000 0.0032 -0.4371 C.2 1 noname 0.0203 6 C4 3.9446 2.5239 0.5751 C.3 1 noname -0.0505 7 C5 2.4988 -1.2081 -0.5987 C.3 1 noname 0.0352 8 C6 -0.1753 2.0113 -0.0861 C.2 1 noname 0.0527 9 C7 -1.3535 2.8486 0.1199 C.3 1 noname 0.0607 10 C8 5.4098 2.9128 0.3677 C.3 1 noname -0.0650 11 C9 2.3697 -2.0753 0.6551 C.3 1 noname -0.0604 12 C10 -1.9913 2.5086 1.4684 C.3 1 noname -0.0590 13 H1 3.5370 2.3584 -1.5338 H 1 noname 0.0332 14 H2 4.0496 0.8384 -0.7623 H 1 noname 0.0332 15 H3 3.3432 3.4249 0.6964 H 1 noname 0.0267 16 H4 3.8558 1.9049 1.4678 H 1 noname 0.0267 17 H5 2.1419 -1.7658 -1.4646 H 1 noname 0.0322 18 H6 3.5441 -0.9369 -0.7469 H 1 noname 0.0322 19 H7 -2.0728 2.6665 -0.6785 H 1 noname 0.0337 20 H8 -1.0593 3.8982 0.1115 H 1 noname 0.0337 21 H9 5.7634 3.4718 1.2341 H 1 noname 0.0230 22 H10 5.4985 3.5319 -0.5250 H 1 noname 0.0230 23 H11 6.0111 2.0119 0.2464 H 1 noname 0.0230 24 H12 2.9661 -2.9797 0.5344 H 1 noname 0.0234 25 H13 1.3244 -2.3465 0.8033 H 1 noname 0.0234 26 H14 2.7266 -1.5176 1.5210 H 1 noname 0.0234 27 H15 -2.8709 3.1337 1.6222 H 1 noname 0.0234 28 H16 -2.2855 1.4591 1.4769 H 1 noname 0.0234 29 H17 -1.2720 2.6908 2.2668 H 1 noname 0.0234 @BOND 1 1 5 1 2 1 8 1 3 2 4 1 4 2 8 2 5 3 4 1 6 3 6 1 7 3 13 1 8 3 14 1 9 4 5 2 10 5 7 1 11 6 10 1 12 6 15 1 13 6 16 1 14 7 11 1 15 7 17 1 16 7 18 1 17 8 9 1 18 9 12 1 19 9 19 1 20 9 20 1 21 10 21 1 22 10 22 1 23 10 23 1 24 11 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1 29 12 29 1 @SUBSTRUCTURE 1 noname 1