@MOLECULE DB01454 29 30 1 SMALL USER_CHARGES @ATOM 1 O1 0.4051 2.3787 -0.5339 O.3 1 noname -0.2452 2 C1 -0.4118 2.1409 0.5040 C.2 1 noname 0.0291 3 C2 0.0734 1.2675 -1.3898 C.3 1 noname 0.1587 4 C3 -1.0133 0.8776 0.4144 C.2 1 noname 0.0233 5 C4 -0.6538 3.0124 1.5985 C.2 1 noname -0.0200 6 O2 -0.6335 0.2220 -0.6935 O.3 1 noname -0.2463 7 C5 -1.8922 0.3925 1.4184 C.2 1 noname -0.0195 8 C6 -1.5144 2.5302 2.6361 C.2 1 noname -0.0556 9 C7 -2.1223 1.2410 2.5482 C.2 1 noname -0.0618 10 C8 -1.7745 3.3695 3.8021 C.3 1 noname 0.0147 11 C9 -0.7292 3.0812 4.8814 C.3 1 noname 0.0077 12 N1 -0.9897 3.9216 6.0490 N.3 1 noname -0.3169 13 C10 -0.8070 1.6077 5.2861 C.3 1 noname -0.0494 14 C11 -0.9153 5.3296 5.6623 C.3 1 noname -0.0161 15 H1 -0.6202 1.6567 -2.1352 H 1 noname 0.0892 16 H2 1.0230 0.8334 -1.7031 H 1 noname 0.0892 17 H3 -0.2012 4.0032 1.6401 H 1 noname 0.0654 18 H4 -2.3673 -0.5841 1.3264 H 1 noname 0.0651 19 H5 -2.7710 0.8996 3.3548 H 1 noname 0.0626 20 H6 -1.6297 4.3975 3.4698 H 1 noname 0.0332 21 H7 -2.7432 3.0532 4.1890 H 1 noname 0.0332 22 H8 0.2705 3.3302 4.5253 H 1 noname 0.0465 23 H9 -1.1900 3.5821 6.9789 H 1 noname 0.1221 24 H10 -0.8111 1.5292 6.3732 H 1 noname 0.0246 25 H11 -1.7214 1.1690 4.8866 H 1 noname 0.0246 26 H12 0.0561 1.0752 4.8866 H 1 noname 0.0246 27 H13 -0.8825 5.9509 6.5573 H 1 noname 0.0391 28 H14 -0.0153 5.4969 5.0707 H 1 noname 0.0391 29 H15 -1.7928 5.5907 5.0707 H 1 noname 0.0391 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 1 6 4 7 1 7 4 6 1 8 5 8 2 9 7 9 2 10 8 10 1 11 8 9 1 12 10 11 1 13 11 12 1 14 11 13 1 15 12 14 1 16 3 15 1 17 3 16 1 18 5 17 1 19 7 18 1 20 9 19 1 21 10 20 1 22 10 21 1 23 11 22 1 24 12 23 1 25 13 24 1 26 13 25 1 27 13 26 1 28 14 27 1 29 14 28 1 30 14 29 1 @SUBSTRUCTURE 1 noname 1