@MOLECULE DB07418 32 33 1 SMALL USER_CHARGES @ATOM 1 P1 0.1224 0.8335 -0.7735 P 1 noname 0.0483 2 O1 -0.8967 -0.1150 -0.4055 O.2 1 noname -0.1888 3 O2 1.5094 0.2496 -0.4464 O.3 1 noname -0.1109 4 O3 0.0313 1.1252 -2.2829 O.3 1 noname -0.1109 5 O4 -0.0835 2.1401 0.0152 O.3 1 noname -0.1594 6 C1 2.4648 1.1388 -0.7914 C.2 1 noname 0.0421 7 C2 -1.1846 1.6371 -2.5697 C.2 1 noname 0.0421 8 C3 3.0116 1.1107 -2.0690 C.2 1 noname 0.0160 9 C4 2.9017 2.0823 0.1310 C.2 1 noname 0.0160 10 C5 -1.5028 1.9811 -3.8783 C.2 1 noname 0.0160 11 C6 -2.1182 1.8202 -1.5563 C.2 1 noname 0.0160 12 C7 3.9953 2.0263 -2.4242 C.2 1 noname 0.0414 13 C8 3.8854 2.9979 -0.2242 C.2 1 noname 0.0414 14 C9 -2.7546 2.5081 -4.1736 C.2 1 noname 0.0414 15 C10 -3.3700 2.3472 -1.8516 C.2 1 noname 0.0414 16 C11 4.4322 2.9698 -1.5018 C.2 1 noname 0.0365 17 C12 -3.6883 2.6912 -3.1602 C.2 1 noname 0.0365 18 N1 5.3558 3.8294 -1.8353 N.2 1 noname -0.0167 19 N2 -4.8636 3.1860 -3.4374 N.2 1 noname -0.0167 20 O5 5.4522 4.1808 -2.9418 O.2 1 noname -0.1449 21 O6 6.1463 4.2810 -0.9571 O.3 1 noname -0.1449 22 O7 -5.3421 2.9998 -4.4831 O.2 1 noname -0.1449 23 O8 -5.4832 3.8680 -2.5707 O.3 1 noname -0.1449 24 H1 -0.0541 1.9537 0.9564 H 1 noname 0.2283 25 H2 2.6689 0.3708 -2.7924 H 1 noname 0.0651 26 H3 2.4729 2.1043 1.1329 H 1 noname 0.0651 27 H4 -0.7706 1.8375 -4.6729 H 1 noname 0.0651 28 H5 -1.8687 1.5504 -0.5301 H 1 noname 0.0651 29 H6 4.4240 2.0043 -3.4261 H 1 noname 0.0648 30 H7 4.2281 3.7378 0.4992 H 1 noname 0.0648 31 H8 -3.0041 2.7779 -5.1998 H 1 noname 0.0648 32 H9 -4.1022 2.4908 -1.0569 H 1 noname 0.0648 @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 7 10 2 10 7 11 1 11 8 12 1 12 9 13 2 13 10 14 1 14 11 15 2 15 12 16 2 16 13 16 1 17 14 17 2 18 15 17 1 19 16 18 1 20 17 19 1 21 18 20 2 22 18 21 1 23 19 22 2 24 19 23 1 25 5 24 1 26 8 25 1 27 9 26 1 28 10 27 1 29 11 28 1 30 12 29 1 31 13 30 1 32 14 31 1 33 15 32 1 @SUBSTRUCTURE 1 noname 1