@MOLECULE DB04672 33 34 1 SMALL USER_CHARGES @ATOM 1 P1 0.5485 -4.5827 -3.6272 P 1 noname 0.0150 2 O1 1.6152 -4.3231 -4.5591 O.2 1 noname -0.1966 3 O2 0.2914 -3.3242 -2.7778 O.3 1 noname -0.1524 4 O3 0.9445 -5.7516 -2.7062 O.3 1 noname -0.1645 5 O4 -0.7313 -4.9498 -4.4013 O.3 1 noname -0.1645 6 C1 -0.7606 -3.5801 -1.8589 C.3 1 noname 0.0924 7 C2 -1.0160 -2.3297 -1.0149 C.3 1 noname 0.1026 8 O5 0.1712 -1.9891 -0.2969 O.3 1 noname -0.3488 9 C3 -1.9523 -2.6389 0.0263 C.2 1 noname -0.0493 10 C4 -0.4671 -1.1720 0.6880 C.3 1 noname 0.1418 11 C5 -1.6270 -1.9276 1.0949 C.2 1 noname -0.0458 12 N1 0.2665 -0.4329 1.6684 N.3 1 noname 0.0377 13 C6 -0.3029 0.8033 1.8867 C.2 1 noname 0.0306 14 C7 1.3425 -0.8968 2.4253 C.2 1 noname -0.0367 15 O6 -1.2199 1.2336 1.1542 O.2 1 noname -0.2796 16 N2 0.1746 1.5431 2.9380 N.3 1 noname 0.0799 17 C8 1.8639 -0.1367 3.5174 C.2 1 noname 0.0439 18 C9 1.2042 1.1063 3.7396 C.2 1 noname 0.0638 19 C10 2.9808 -0.5962 4.3379 C.3 1 noname -0.0339 20 O7 1.5729 1.8239 4.6944 O.2 1 noname -0.2887 21 H1 0.8531 -5.4818 -1.7894 H 1 noname 0.2283 22 H2 -1.4344 -5.1515 -3.7796 H 1 noname 0.2283 23 H3 -1.6441 -3.7604 -2.4712 H 1 noname 0.0607 24 H4 -0.3861 -4.3624 -1.1987 H 1 noname 0.0607 25 H5 -1.3596 -1.5026 -1.6361 H 1 noname 0.0674 26 H6 -2.7996 -3.3243 0.0079 H 1 noname 0.0602 27 H7 -0.7106 -0.2152 0.2260 H 1 noname 0.0835 28 H8 -2.1634 -1.9560 2.0434 H 1 noname 0.0615 29 H9 1.7789 -1.8601 2.1615 H 1 noname 0.0762 30 H10 -0.2468 2.4410 3.1285 H 1 noname 0.1418 31 H11 2.7246 -0.4908 5.3921 H 1 noname 0.0282 32 H12 3.1871 -1.6435 4.1170 H 1 noname 0.0282 33 H13 3.8644 0.0026 4.1170 H 1 noname 0.0282 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 7 6 1 7 7 8 1 8 7 9 1 9 8 10 1 10 9 11 2 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 16 18 1 19 17 19 1 20 17 18 1 21 18 20 2 22 4 21 1 23 5 22 1 24 6 23 1 25 6 24 1 26 7 25 1 27 9 26 1 28 10 27 1 29 11 28 1 30 14 29 1 31 16 30 1 32 19 31 1 33 19 32 1 34 19 33 1 @SUBSTRUCTURE 1 noname 1