@MOLECULE 15960 34 34 1 SMALL USER_CHARGES @ATOM 1 O1 -1.5416 -0.8415 3.1736 O.2 1 noname -0.2760 2 C1 -0.7730 -0.3110 2.3428 C.2 1 noname 0.1334 3 N1 -1.0926 -0.3073 1.0415 N.3 1 noname -0.1123 4 C2 0.4730 0.3045 2.7902 C.3 1 noname 0.0099 5 C3 -0.2687 0.2614 0.1508 C.2 1 noname 0.0455 6 N2 1.1034 0.2882 0.3776 N.2 1 noname -0.2333 7 C4 -0.7900 0.8498 -1.0475 C.2 1 noname -0.0175 8 C5 2.0178 0.8599 -0.5004 C.2 1 noname 0.0968 9 C6 0.1365 1.4482 -1.9727 C.2 1 noname 0.0362 10 O2 3.3366 0.8478 -0.2122 O.3 1 noname -0.2316 11 C7 1.5483 1.4632 -1.7161 C.2 1 noname 0.0315 12 N3 -0.3300 2.0039 -3.0993 N.3 1 noname -0.1391 13 C8 3.6718 2.0171 0.5204 C.3 1 noname 0.0551 14 C9 2.3715 2.0028 -2.5529 C.1 1 noname 0.0818 15 C10 5.1664 2.0034 0.8470 C.3 1 noname -0.0293 16 N4 3.1031 2.4823 -3.2964 N.1 1 noname -0.1780 17 C11 5.5275 3.2633 1.6364 C.3 1 noname -0.0539 18 C12 7.0222 3.2496 1.9630 C.3 1 noname -0.0653 19 H1 -1.9546 -0.7331 0.7320 H 1 noname 0.1386 20 H2 0.5007 0.3182 3.8798 H 1 noname 0.0324 21 H3 1.3185 -0.2705 2.4124 H 1 noname 0.0324 22 H4 0.5301 1.3254 2.4124 H 1 noname 0.0324 23 H5 -1.8611 0.8424 -1.2495 H 1 noname 0.0673 24 H6 -1.3140 2.2133 -3.1892 H 1 noname 0.1243 25 H7 0.3023 2.2133 -3.8585 H 1 noname 0.1243 26 H8 3.4819 2.8493 -0.1574 H 1 noname 0.0572 27 H9 3.1206 1.9409 1.4577 H 1 noname 0.0572 28 H10 5.3355 1.1563 1.5118 H 1 noname 0.0290 29 H11 5.6968 2.0647 -0.1033 H 1 noname 0.0290 30 H12 5.3585 4.1104 0.9716 H 1 noname 0.0264 31 H13 4.9972 3.2020 2.5867 H 1 noname 0.0264 32 H14 7.1578 3.2484 3.0446 H 1 noname 0.0230 33 H15 7.4787 2.3554 1.5386 H 1 noname 0.0230 34 H16 7.4950 4.1353 1.5386 H 1 noname 0.0230 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 1 10 8 11 2 11 9 12 1 12 9 11 1 13 10 13 1 14 11 14 1 15 13 15 1 16 14 16 3 17 15 17 1 18 17 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 4 22 1 23 7 23 1 24 12 24 1 25 12 25 1 26 13 26 1 27 13 27 1 28 15 28 1 29 15 29 1 30 17 30 1 31 17 31 1 32 18 32 1 33 18 33 1 34 18 34 1 @SUBSTRUCTURE 1 noname 1