@MOLECULE DB01860 46 48 1 SMALL USER_CHARGES @ATOM 1 P1 4.1261 -4.2596 5.2036 P 1 noname 0.1090 2 O1 4.6766 -3.4682 6.3200 O.2 1 noname -0.1763 3 O2 5.3640 -5.1028 4.6115 O.3 1 noname -0.0201 4 O3 3.3775 -3.1982 4.2632 O.3 1 noname -0.0210 5 O4 3.0761 -5.2340 5.8720 O.3 1 noname -0.1517 6 P2 5.0824 -6.3735 3.6777 P 1 noname 0.0686 7 P3 3.2291 -3.3623 2.7374 P 1 noname 0.0637 8 O5 6.2885 -7.1863 3.5271 O.2 1 noname -0.1855 9 O6 4.7161 -5.7928 2.2505 O.3 1 noname -0.1456 10 O7 3.9273 -7.2857 4.2845 O.3 1 noname -0.1575 11 O8 2.5081 -2.2369 2.2015 O.2 1 noname -0.1869 12 O9 4.6248 -3.4330 2.0905 O.3 1 noname -0.1584 13 O10 2.4561 -4.6591 2.4334 O.3 1 noname -0.1584 14 C1 3.8532 -6.5996 1.4525 C.3 1 noname 0.0889 15 C2 3.3002 -5.7512 0.2863 C.3 1 noname 0.0871 16 O11 4.2546 -4.8220 -0.2503 O.3 1 noname -0.3511 17 C3 2.8658 -6.6850 -0.8357 C.3 1 noname 0.0061 18 C4 3.7843 -4.5804 -1.5811 C.3 1 noname 0.1563 19 C5 3.4200 -5.9944 -2.0685 C.3 1 noname 0.0999 20 N1 4.7380 -3.8158 -2.3497 N.3 1 noname 0.0256 21 O12 2.4260 -5.9709 -3.0755 O.3 1 noname -0.3884 22 C6 5.1474 -2.5813 -2.0321 C.2 1 noname 0.1238 23 C7 5.3985 -4.1690 -3.4878 C.2 1 noname -0.0362 24 N2 4.8055 -1.7426 -0.9977 N.2 1 noname -0.2441 25 C8 6.0936 -2.2105 -2.9772 C.2 1 noname 0.0254 26 N3 6.2352 -3.1941 -3.8831 N.2 1 noname -0.2172 27 C9 5.3970 -0.5234 -0.8602 C.2 1 noname 0.0503 28 C10 6.7096 -0.9634 -2.8297 C.2 1 noname 0.0729 29 N4 6.3435 -0.1586 -1.7788 N.2 1 noname -0.2575 30 N5 7.6509 -0.5625 -3.6956 N.3 1 noname -0.1031 31 H1 3.1441 -5.1710 6.8275 H 1 noname 0.2283 32 H2 3.9659 -7.2553 5.2433 H 1 noname 0.2283 33 H3 5.2946 -3.4670 2.7775 H 1 noname 0.2283 34 H4 2.2040 -5.0820 3.2575 H 1 noname 0.2283 35 H5 4.4897 -7.3793 1.0342 H 1 noname 0.0604 36 H6 3.0209 -6.8665 2.1038 H 1 noname 0.0604 37 H7 2.4971 -5.1129 0.6547 H 1 noname 0.0629 38 H8 3.3883 -7.6337 -0.7130 H 1 noname 0.0322 39 H9 1.7776 -6.6658 -0.8949 H 1 noname 0.0322 40 H10 2.9514 -3.8798 -1.6400 H 1 noname 0.0852 41 H11 4.2414 -6.5127 -2.5633 H 1 noname 0.0646 42 H12 2.1906 -6.8706 -3.3139 H 1 noname 0.2106 43 H13 5.2732 -5.1141 -4.0162 H 1 noname 0.1016 44 H14 5.1214 0.1398 -0.0404 H 1 noname 0.1062 45 H15 8.3482 -1.2163 -4.0219 H 1 noname 0.1258 46 H16 7.6629 0.3932 -4.0219 H 1 noname 0.1258 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 4 7 1 7 6 8 2 8 6 9 1 9 6 10 1 10 7 11 2 11 7 12 1 12 7 13 1 13 9 14 1 14 15 14 1 15 15 16 1 16 15 17 1 17 16 18 1 18 17 19 1 19 18 20 1 20 18 19 1 21 19 21 1 22 20 22 1 23 20 23 1 24 22 24 2 25 22 25 1 26 23 26 2 27 24 27 1 28 25 28 2 29 25 26 1 30 27 29 2 31 28 30 1 32 28 29 1 33 5 31 1 34 10 32 1 35 12 33 1 36 13 34 1 37 14 35 1 38 14 36 1 39 15 37 1 40 17 38 1 41 17 39 1 42 18 40 1 43 19 41 1 44 21 42 1 45 23 43 1 46 27 44 1 47 30 45 1 48 30 46 1 @SUBSTRUCTURE 1 noname 1