@MOLECULE 76956356 40 42 1 SMALL USER_CHARGES @ATOM 1 N1 5.1461 -1.3980 -0.2017 N.3 1 noname -0.3062 2 N2 0.6945 2.2121 0.2702 N.3 1 noname -0.0872 3 C1 2.3135 -1.0788 0.6406 C.3 1 noname 0.0234 4 C2 2.6508 -1.8144 -0.7007 C.3 1 noname -0.0334 5 C3 3.4773 -0.7680 1.6398 C.3 1 noname -0.0334 6 C4 4.1162 -2.3279 -0.7516 C.3 1 noname -0.0015 7 C5 4.7473 -0.4019 0.8408 C.3 1 noname -0.0015 8 C6 1.4381 0.0903 0.4097 C.2 1 noname -0.0409 9 C7 0.0629 0.0391 0.2395 C.2 1 noname -0.0342 10 C8 1.7969 1.4516 0.3894 C.2 1 noname -0.1261 11 C9 -0.3573 1.3827 0.1776 C.2 1 noname -0.0951 12 C10 6.2938 -2.1685 0.2743 C.3 1 noname -0.0133 13 C11 -0.8647 -1.0461 0.1363 C.2 1 noname -0.0414 14 C12 -2.2382 -0.6937 -0.0254 C.2 1 noname -0.0491 15 C13 -1.7188 1.7463 0.0264 C.2 1 noname -0.0448 16 C14 -2.6548 0.6744 -0.0749 C.2 1 noname -0.0525 17 C15 -3.2387 -1.7505 -0.1425 C.3 1 noname 0.0046 18 C16 -3.4197 -2.1203 -1.6161 C.3 1 noname -0.0613 19 H1 1.6746 -1.8022 1.1471 H 1 noname 0.0353 20 H2 3.1949 0.0699 2.2772 H 1 noname 0.0286 21 H3 3.6869 -1.6779 2.2021 H 1 noname 0.0286 22 H4 1.9672 -2.6523 -0.8374 H 1 noname 0.0286 23 H5 2.5511 -1.0754 -1.4957 H 1 noname 0.0286 24 H6 4.6158 0.5760 0.3775 H 1 noname 0.0430 25 H7 5.5633 -0.2848 1.5540 H 1 noname 0.0430 26 H8 4.1828 -3.2878 -0.2394 H 1 noname 0.0430 27 H9 4.3902 -2.6033 -1.7700 H 1 noname 0.0430 28 H10 2.7505 1.8076 0.4553 H 1 noname 0.0792 29 H11 7.0460 -1.4895 0.6759 H 1 noname 0.0394 30 H12 5.9709 -2.8562 1.0559 H 1 noname 0.0394 31 H13 6.7203 -2.7343 -0.5540 H 1 noname 0.0394 32 H14 0.6646 3.1815 0.2542 H 1 noname 0.1522 33 H15 -0.5605 -2.0188 0.1761 H 1 noname 0.0632 34 H16 -2.0137 2.7221 -0.0081 H 1 noname 0.0642 35 H17 -3.6459 0.8886 -0.1855 H 1 noname 0.0626 36 H18 -4.1875 -1.3993 0.2631 H 1 noname 0.0313 37 H19 -2.9079 -2.6273 0.4141 H 1 noname 0.0313 38 H20 -4.1667 -2.9093 -1.7036 H 1 noname 0.0234 39 H21 -3.7506 -1.2435 -2.1727 H 1 noname 0.0234 40 H22 -2.4710 -2.4715 -2.0218 H 1 noname 0.0234 @BOND 1 1 6 1 2 1 7 1 3 1 12 1 4 2 10 1 5 2 11 1 6 2 32 1 7 3 4 1 8 3 5 1 9 3 8 1 10 3 19 1 11 4 6 1 12 4 22 1 13 4 23 1 14 5 7 1 15 5 20 1 16 5 21 1 17 6 26 1 18 6 27 1 19 7 24 1 20 7 25 1 21 8 9 1 22 8 10 2 23 9 11 2 24 9 13 1 25 10 28 1 26 11 15 1 27 12 29 1 28 12 30 1 29 12 31 1 30 13 14 2 31 13 33 1 32 14 16 1 33 14 17 1 34 15 16 2 35 15 34 1 36 16 35 1 37 17 18 1 38 17 36 1 39 17 37 1 40 18 38 1 41 18 39 1 42 18 40 1 @SUBSTRUCTURE 1 noname 1