@MOLECULE DB04188 34 33 1 SMALL USER_CHARGES @ATOM 1 N1 3.5020 -1.4425 0.0000 N.3 1 noname -0.3126 2 C1 3.9893 -2.8209 0.0000 C.3 1 noname 0.0210 3 C2 2.0400 -1.4425 0.0000 C.3 1 noname -0.0044 4 C3 5.4193 -2.8209 0.0000 C.2 1 noname -0.0609 5 C4 1.5300 0.0000 0.0000 C.3 1 noname -0.0394 6 C5 6.0503 -3.9138 0.0000 C.1 1 noname -0.0795 7 C6 0.0000 0.0000 0.0000 C.3 1 noname -0.0394 8 C7 6.6813 -5.0067 0.0000 C.2 1 noname -0.0770 9 C8 -0.5100 1.4425 0.0000 C.3 1 noname -0.0044 10 N2 -1.9720 1.4425 0.0000 N.3 1 noname -0.3126 11 C9 -2.4593 2.8209 0.0000 C.3 1 noname 0.0210 12 C10 -3.8893 2.8209 0.0000 C.2 1 noname -0.0609 13 C11 -4.5203 3.9138 0.0000 C.1 1 noname -0.0795 14 C12 -5.1513 5.0067 0.0000 C.2 1 noname -0.0770 15 H1 4.0851 -0.6178 0.0000 H 1 noname 0.1225 16 H2 3.6817 -3.2707 0.9440 H 1 noname 0.0478 17 H3 3.6817 -3.2707 -0.9440 H 1 noname 0.0478 18 H4 1.7398 -1.8974 -0.9440 H 1 noname 0.0428 19 H5 1.7398 -1.8974 0.9440 H 1 noname 0.0428 20 H6 6.0626 -1.9410 0.0000 H 1 noname 0.0679 21 H7 1.8447 0.4450 0.9440 H 1 noname 0.0280 22 H8 1.8447 0.4450 -0.9440 H 1 noname 0.0280 23 H9 -0.3147 -0.4450 -0.9440 H 1 noname 0.0280 24 H10 -0.3147 -0.4450 0.9440 H 1 noname 0.0280 25 H11 6.1363 -5.9507 0.0000 H 1 noname 0.0627 26 H12 7.7713 -5.0067 0.0000 H 1 noname 0.0627 27 H13 -0.2098 1.8974 0.9440 H 1 noname 0.0428 28 H14 -0.2098 1.8974 -0.9440 H 1 noname 0.0428 29 H15 -2.5551 0.6178 0.0000 H 1 noname 0.1225 30 H16 -2.1517 3.2707 0.9440 H 1 noname 0.0478 31 H17 -2.1517 3.2707 -0.9440 H 1 noname 0.0478 32 H18 -4.5326 1.9410 0.0000 H 1 noname 0.0679 33 H19 -4.6063 5.9507 0.0000 H 1 noname 0.0627 34 H20 -6.2413 5.0067 0.0000 H 1 noname 0.0627 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 1 7 6 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 2 13 13 14 2 14 1 15 1 15 2 16 1 16 2 17 1 17 3 18 1 18 3 19 1 19 4 20 1 20 5 21 1 21 5 22 1 22 7 23 1 23 7 24 1 24 8 25 1 25 8 26 1 26 9 27 1 27 9 28 1 28 10 29 1 29 11 30 1 30 11 31 1 31 12 32 1 32 14 33 1 33 14 34 1 @SUBSTRUCTURE 1 noname 1