@MOLECULE DB01912 29 31 1 SMALL USER_CHARGES @ATOM 1 N1 0.9904 0.5870 0.7634 N.2 1 noname -0.2154 2 C1 -0.0837 0.2665 -0.0403 C.2 1 noname 0.0311 3 C2 2.2523 0.0660 0.6148 C.2 1 noname 0.0311 4 C3 -1.3687 0.8373 0.2391 C.2 1 noname 0.0257 5 C4 0.1553 -0.6409 -1.1235 C.2 1 noname -0.0055 6 C5 3.2894 0.4222 1.4916 C.2 1 noname 0.0257 7 C6 2.4809 -0.8492 -0.4457 C.2 1 noname -0.0055 8 N2 -1.4373 2.0991 0.8175 N.2 1 noname -0.2346 9 C7 -2.6040 0.1625 -0.0547 C.2 1 noname -0.0065 10 C8 1.4350 -1.1965 -1.3115 C.2 1 noname -0.0295 11 N3 3.2804 1.6853 2.0737 N.2 1 noname -0.2346 12 C9 4.3392 -0.5091 1.7840 C.2 1 noname -0.0065 13 C10 -2.5967 2.7900 1.1107 C.2 1 noname 0.0024 14 C11 -3.8219 0.8401 0.2316 C.2 1 noname -0.0356 15 C12 4.2676 2.1123 2.9420 C.2 1 noname 0.0024 16 C13 5.3656 -0.0973 2.6679 C.2 1 noname -0.0356 17 C14 -3.8259 2.1439 0.8020 C.2 1 noname -0.0249 18 C15 5.3350 1.2055 3.2495 C.2 1 noname -0.0249 19 H1 -0.6452 -0.9116 -1.8120 H 1 noname 0.0646 20 H2 3.4670 -1.2885 -0.5963 H 1 noname 0.0646 21 H3 -2.6170 -0.8392 -0.4844 H 1 noname 0.0646 22 H4 1.6161 -1.8958 -2.1277 H 1 noname 0.0624 23 H5 4.3566 -1.5066 1.3448 H 1 noname 0.0646 24 H6 -2.5450 3.7827 1.5577 H 1 noname 0.0839 25 H7 -4.7703 0.3508 0.0097 H 1 noname 0.0623 26 H8 4.2072 3.1155 3.3639 H 1 noname 0.0839 27 H9 6.1797 -0.7835 2.9007 H 1 noname 0.0623 28 H10 -4.7712 2.6481 1.0026 H 1 noname 0.0638 29 H11 6.1298 1.5089 3.9309 H 1 noname 0.0638 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 3 7 2 7 4 8 2 8 4 9 1 9 5 10 2 10 6 11 2 11 6 12 1 12 7 10 1 13 8 13 1 14 9 14 2 15 11 15 1 16 12 16 2 17 13 17 2 18 14 17 1 19 15 18 2 20 16 18 1 21 5 19 1 22 7 20 1 23 9 21 1 24 10 22 1 25 12 23 1 26 13 24 1 27 14 25 1 28 15 26 1 29 16 27 1 30 17 28 1 31 18 29 1 @SUBSTRUCTURE 1 noname 1