@MOLECULE DB01842 47 49 1 SMALL USER_CHARGES @ATOM 1 P1 7.5381 -0.6958 -2.9906 P 1 noname 0.0669 2 O1 8.9196 -0.9968 -3.2632 O.2 1 noname -0.1856 3 O2 7.4509 0.2936 -1.8136 O.3 1 noname -0.0280 4 O3 6.8937 -0.0659 -4.2395 O.3 1 noname -0.1456 5 O4 6.7921 -1.9930 -2.6270 O.3 1 noname -0.1575 6 P2 8.0952 -0.3362 -0.5647 P 1 noname 0.0623 7 C1 5.5314 0.2309 -3.9706 C.3 1 noname 0.0915 8 O5 8.0136 0.5889 0.5358 O.2 1 noname -0.1871 9 O6 7.3492 -1.6335 -0.2012 O.3 1 noname -0.1585 10 O7 9.5727 -0.6582 -0.8564 O.3 1 noname -0.1585 11 C2 4.8912 0.8567 -5.2113 C.3 1 noname 0.1143 12 O8 4.9709 -0.0471 -6.2865 O.3 1 noname -0.3482 13 C3 3.4058 1.1106 -4.9459 C.3 1 noname 0.1318 14 C4 3.9179 0.3843 -7.1315 C.3 1 noname 0.1590 15 O9 3.1755 2.5080 -4.8423 O.3 1 noname -0.1482 16 C5 2.7196 0.5735 -6.1987 C.3 1 noname 0.1271 17 N1 3.7725 -0.4987 -8.2468 N.3 1 noname 0.0257 18 P3 4.0097 3.0810 -3.6815 P 1 noname 0.0165 19 O10 1.8583 1.5694 -6.7305 O.3 1 noname -0.3856 20 C6 4.7590 -0.7866 -9.1255 C.2 1 noname 0.1238 21 C7 2.6827 -1.2337 -8.6239 C.2 1 noname -0.0362 22 O11 3.7762 4.4980 -3.5764 O.2 1 noname -0.1963 23 O12 3.5986 2.3941 -2.3659 O.3 1 noname -0.1643 24 O13 5.5047 2.8255 -3.9487 O.3 1 noname -0.1643 25 N2 6.0451 -0.3334 -9.2324 N.2 1 noname -0.2441 26 C8 4.2205 -1.7466 -9.9948 C.2 1 noname 0.0254 27 N3 2.9524 -2.0017 -9.6933 N.2 1 noname -0.2172 28 C9 6.8551 -0.8533 -10.2136 C.2 1 noname 0.0503 29 C10 5.0578 -2.2799 -10.9936 C.2 1 noname 0.0729 30 N4 6.3378 -1.8108 -11.0525 N.2 1 noname -0.2575 31 N5 4.6157 -3.2100 -11.8509 N.3 1 noname -0.1031 32 H1 6.7436 -2.0774 -1.6719 H 1 noname 0.2283 33 H2 5.0533 -0.7325 -3.7935 H 1 noname 0.0605 34 H3 5.5479 0.9841 -3.1828 H 1 noname 0.0605 35 H4 7.3008 -1.7179 0.7539 H 1 noname 0.2283 36 H5 10.0471 -0.7615 -0.0282 H 1 noname 0.2283 37 H6 5.4300 1.7543 -5.5147 H 1 noname 0.0657 38 H7 3.0278 0.7078 -4.0062 H 1 noname 0.0671 39 H8 4.1547 1.3011 -7.6714 H 1 noname 0.0853 40 H9 2.0643 -0.2870 -6.0630 H 1 noname 0.0674 41 H10 1.4425 2.0502 -6.0111 H 1 noname 0.2107 42 H11 1.7117 -1.2102 -8.1293 H 1 noname 0.1016 43 H12 3.6336 1.4413 -2.4779 H 1 noname 0.2283 44 H13 5.9701 2.7459 -3.1128 H 1 noname 0.2283 45 H14 7.8850 -0.5137 -10.3239 H 1 noname 0.1062 46 H15 3.6591 -3.1850 -12.1740 H 1 noname 0.1258 47 H16 5.2391 -3.9360 -12.1740 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 11 7 1 11 11 12 1 12 11 13 1 13 12 14 1 14 13 15 1 15 13 16 1 16 14 17 1 17 14 16 1 18 15 18 1 19 16 19 1 20 17 20 1 21 17 21 1 22 18 22 2 23 18 23 1 24 18 24 1 25 20 25 2 26 20 26 1 27 21 27 2 28 25 28 1 29 26 29 2 30 26 27 1 31 28 30 2 32 29 31 1 33 29 30 1 34 5 32 1 35 7 33 1 36 7 34 1 37 9 35 1 38 10 36 1 39 11 37 1 40 13 38 1 41 14 39 1 42 16 40 1 43 19 41 1 44 21 42 1 45 23 43 1 46 24 44 1 47 28 45 1 48 31 46 1 49 31 47 1 @SUBSTRUCTURE 1 noname 1