@MOLECULE DB00922 33 34 1 SMALL USER_CHARGES @ATOM 1 O1 -2.5306 -2.9451 -2.9922 O.2 1 noname -0.2830 2 C1 -1.8673 -2.2763 -2.1705 C.2 1 noname 0.0899 3 N1 -2.4644 -1.3026 -1.2777 N.3 1 noname 0.0629 4 C2 -0.3109 -2.4142 -2.0112 C.3 1 noname 0.0311 5 N2 -1.9265 -1.0489 -0.1383 N.2 1 noname -0.2676 6 C3 0.2470 -1.4826 -0.9188 C.3 1 noname 0.0086 7 C4 -0.6858 -1.2163 0.2049 C.2 1 noname 0.0155 8 C5 0.6769 -0.1568 -1.5500 C.3 1 noname -0.0564 9 C6 -0.3019 -1.1827 1.5733 C.2 1 noname -0.0494 10 C7 1.0812 -1.2669 1.9846 C.2 1 noname -0.0316 11 C8 -1.3094 -1.0670 2.6071 C.2 1 noname -0.0316 12 C9 1.4632 -1.2179 3.3552 C.2 1 noname -0.0412 13 C10 -0.9695 -1.0131 3.9892 C.2 1 noname -0.0412 14 C11 0.4198 -1.0886 4.3385 C.2 1 noname -0.0121 15 N3 0.7604 -1.0366 5.6335 N.3 1 noname 0.0234 16 N4 0.9480 0.1581 5.9690 N.2 1 noname -0.2263 17 C12 1.2826 0.4388 7.1669 C.2 1 noname 0.1205 18 C13 1.4251 -0.4847 8.0151 C.1 1 noname 0.1301 19 C14 1.4712 1.6401 7.5043 C.1 1 noname 0.1301 20 N5 1.5547 -1.3248 8.7867 N.1 1 noname -0.1612 21 N6 1.6428 2.7329 7.8113 N.1 1 noname -0.1612 22 H1 -3.3033 -0.7704 -1.4599 H 1 noname 0.1590 23 H2 -0.1233 -3.4291 -1.6607 H 1 noname 0.0368 24 H3 0.1288 -2.0710 -2.9477 H 1 noname 0.0368 25 H4 1.0811 -2.0022 -0.4472 H 1 noname 0.0371 26 H5 0.9097 0.5612 -0.7637 H 1 noname 0.0237 27 H6 1.5602 -0.3181 -2.1679 H 1 noname 0.0237 28 H7 -0.1330 0.2309 -2.1679 H 1 noname 0.0237 29 H8 1.8646 -1.3712 1.2340 H 1 noname 0.0630 30 H9 -2.3637 -1.0186 2.3347 H 1 noname 0.0630 31 H10 2.5135 -1.2770 3.6406 H 1 noname 0.0640 32 H11 -1.7434 -0.9178 4.7508 H 1 noname 0.0640 33 H12 0.8634 -1.8060 6.2795 H 1 noname 0.1559 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 5 7 2 7 6 8 1 8 6 7 1 9 7 9 1 10 9 10 2 11 9 11 1 12 10 12 1 13 11 13 2 14 12 14 2 15 13 14 1 16 14 15 1 17 15 16 1 18 16 17 2 19 17 18 1 20 17 19 1 21 18 20 3 22 19 21 3 23 3 22 1 24 4 23 1 25 4 24 1 26 6 25 1 27 8 26 1 28 8 27 1 29 8 28 1 30 10 29 1 31 11 30 1 32 12 31 1 33 13 32 1 34 15 33 1 @SUBSTRUCTURE 1 noname 1