@MOLECULE DB02454 33 35 1 SMALL USER_CHARGES @ATOM 1 P1 6.7042 -2.4389 0.2795 P 1 noname 0.0164 2 O1 7.5040 -3.0250 1.3237 O.2 1 noname -0.1963 3 O2 5.4398 -1.8095 0.8932 O.3 1 noname -0.1485 4 O3 7.5204 -1.3509 -0.4429 O.3 1 noname -0.1643 5 O4 6.2971 -3.5295 -0.7288 O.3 1 noname -0.1643 6 C1 4.6512 -1.2315 -0.1365 C.3 1 noname 0.1267 7 C2 3.4072 -0.6121 0.4674 C.3 1 noname 0.1267 8 C3 4.0480 -2.3454 -1.0061 C.3 1 noname 0.0792 9 O5 3.6222 0.7762 0.6742 O.3 1 noname -0.3857 10 C4 2.4250 -0.8085 -0.6814 C.3 1 noname 0.1585 11 O6 2.6309 -2.1667 -1.0687 O.3 1 noname -0.3539 12 N1 1.0992 -0.4818 -0.2972 N.3 1 noname 0.0257 13 C5 0.1873 -1.2735 0.2956 C.2 1 noname 0.1238 14 C6 0.5672 0.7578 -0.4027 C.2 1 noname -0.0362 15 N2 0.2333 -2.6040 0.6127 N.2 1 noname -0.2441 16 C7 -0.9071 -0.4525 0.5887 C.2 1 noname 0.0254 17 N3 -0.6714 0.7855 0.1487 N.2 1 noname -0.2172 18 C8 -0.8294 -3.1669 1.2615 C.2 1 noname 0.0503 19 C9 -2.0007 -1.0398 1.2650 C.2 1 noname 0.0729 20 N4 -1.9043 -2.3776 1.5735 N.2 1 noname -0.2575 21 N5 -3.0854 -0.3242 1.5919 N.3 1 noname -0.1031 22 H1 7.9448 -0.7853 0.2064 H 1 noname 0.2283 23 H2 6.0053 -4.3112 -0.2541 H 1 noname 0.2283 24 H3 5.3341 -0.5395 -0.6294 H 1 noname 0.0667 25 H4 3.1042 -0.9758 1.4493 H 1 noname 0.0674 26 H5 4.4070 -2.2107 -2.0264 H 1 noname 0.0596 27 H6 4.2026 -3.2956 -0.4949 H 1 noname 0.0596 28 H7 3.6504 0.9588 1.6162 H 1 noname 0.2107 29 H8 2.5304 -0.1696 -1.5582 H 1 noname 0.0853 30 H9 1.0644 1.6106 -0.8649 H 1 noname 0.1016 31 H10 -0.8198 -4.2246 1.5249 H 1 noname 0.1062 32 H11 -3.0125 0.6756 1.7151 H 1 noname 0.1258 33 H12 -3.9758 -0.7846 1.7151 H 1 noname 0.1258 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 6 3 1 6 6 7 1 7 6 8 1 8 7 9 1 9 7 10 1 10 8 11 1 11 10 12 1 12 10 11 1 13 12 13 1 14 12 14 1 15 13 15 2 16 13 16 1 17 14 17 2 18 15 18 1 19 16 19 2 20 16 17 1 21 18 20 2 22 19 21 1 23 19 20 1 24 4 22 1 25 5 23 1 26 6 24 1 27 7 25 1 28 8 26 1 29 8 27 1 30 9 28 1 31 10 29 1 32 14 30 1 33 18 31 1 34 21 32 1 35 21 33 1 @SUBSTRUCTURE 1 noname 1