@MOLECULE DB07206 33 35 1 SMALL USER_CHARGES @ATOM 1 N1 -5.6520 -3.3539 2.2466 N.2 1 noname -0.2787 2 C1 -6.6688 -4.2801 2.3971 C.2 1 noname 0.0181 3 C2 -5.1161 -2.9654 1.0315 C.2 1 noname -0.0065 4 N2 -7.1343 -4.6037 3.6113 N.3 1 noname -0.1196 5 C3 -7.2024 -4.8757 1.2279 C.2 1 noname -0.0497 6 C4 -5.6248 -3.5417 -0.1830 C.2 1 noname -0.0687 7 C5 -4.0261 -1.9497 1.1228 C.3 1 noname 0.0340 8 C6 -6.6714 -4.4966 -0.0449 C.2 1 noname -0.0499 9 C7 -3.4037 -1.4956 -0.2171 C.3 1 noname 0.0179 10 C8 -2.3510 -0.4970 -0.1343 C.2 1 noname -0.0463 11 C9 -1.0164 -0.9664 -0.0633 C.2 1 noname -0.0459 12 C10 -2.6918 0.8888 -0.1723 C.2 1 noname -0.0556 13 C11 -0.0216 0.0340 0.0273 C.2 1 noname -0.0915 14 C12 -1.7004 1.9036 -0.1026 C.2 1 noname -0.0424 15 N3 1.2995 -0.1111 0.1580 N.3 1 noname -0.0803 16 C13 -0.3802 1.4015 0.0086 C.2 1 noname -0.0417 17 C14 1.7977 1.1422 0.2241 C.2 1 noname -0.1122 18 C15 0.7958 2.1156 0.1317 C.2 1 noname -0.0406 19 H1 -6.4930 -4.7257 4.3819 H 1 noname 0.1257 20 H2 -8.1264 -4.7257 3.7557 H 1 noname 0.1257 21 H3 -8.0043 -5.6098 1.3061 H 1 noname 0.0655 22 H4 -5.2349 -3.2672 -1.1632 H 1 noname 0.0641 23 H5 -4.5069 -1.0675 1.5456 H 1 noname 0.0335 24 H6 -3.2283 -2.4509 1.6708 H 1 noname 0.0335 25 H7 -7.0808 -4.9538 -0.9458 H 1 noname 0.0624 26 H8 -2.9066 -2.3689 -0.6395 H 1 noname 0.0320 27 H9 -4.1971 -0.9974 -0.7743 H 1 noname 0.0320 28 H10 -0.7708 -2.0283 -0.0775 H 1 noname 0.0645 29 H11 -3.7387 1.1802 -0.2569 H 1 noname 0.0625 30 H12 -1.9311 2.9685 -0.1317 H 1 noname 0.0629 31 H13 1.8113 -0.9809 0.1981 H 1 noname 0.1522 32 H14 2.8635 1.3412 0.3368 H 1 noname 0.0789 33 H15 0.9076 3.1997 0.1515 H 1 noname 0.0642 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 7 1 7 5 8 2 8 6 8 1 9 7 9 1 10 9 10 1 11 10 11 2 12 10 12 1 13 11 13 1 14 12 14 2 15 13 15 1 16 13 16 2 17 14 16 1 18 15 17 1 19 16 18 1 20 17 18 2 21 4 19 1 22 4 20 1 23 5 21 1 24 6 22 1 25 7 23 1 26 7 24 1 27 8 25 1 28 9 26 1 29 9 27 1 30 11 28 1 31 12 29 1 32 14 30 1 33 15 31 1 34 17 32 1 35 18 33 1 @SUBSTRUCTURE 1 noname 1