@MOLECULE DB02236 33 33 1 SMALL USER_CHARGES @ATOM 1 P1 -2.4699 -5.3692 3.4073 P 1 noname 0.0149 2 O1 -3.3028 -5.4716 4.5776 O.2 1 noname -0.1967 3 O2 -2.1232 -3.8907 3.1519 O.3 1 noname -0.1525 4 O3 -1.1731 -6.1698 3.6285 O.3 1 noname -0.1645 5 O4 -3.2228 -5.9376 2.1901 O.3 1 noname -0.1645 6 C1 -1.3019 -3.7897 1.9979 C.3 1 noname 0.0914 7 C2 -0.9566 -2.3174 1.7435 C.3 1 noname 0.1127 8 O5 -0.2582 -1.7386 2.8383 O.3 1 noname -0.3515 9 C3 -0.0069 -2.1439 0.5629 C.3 1 noname 0.1124 10 C4 0.1466 -0.4889 2.2855 C.3 1 noname 0.1434 11 O6 -0.7537 -2.1114 -0.6445 O.3 1 noname -0.3873 12 C5 0.5712 -0.7537 0.8431 C.3 1 noname 0.1224 13 N1 1.2443 0.0138 3.0138 N.3 1 noname -0.0554 14 O7 -0.0448 0.1966 -0.0136 O.3 1 noname -0.3860 15 C6 1.0381 0.8049 4.0755 C.2 1 noname 0.0524 16 O8 2.0113 1.2505 4.7212 O.2 1 noname -0.2900 17 C7 -0.3231 1.1463 4.4782 C.3 1 noname 0.0675 18 N2 -0.5599 0.6773 5.8425 N.3 1 noname -0.3229 19 H1 -1.0143 -6.2679 4.5702 H 1 noname 0.2283 20 H2 -3.2035 -6.8969 2.2213 H 1 noname 0.2283 21 H3 -0.3806 -4.3144 2.2507 H 1 noname 0.0605 22 H4 -1.9194 -4.1401 1.1708 H 1 noname 0.0605 23 H5 -1.9046 -1.7936 1.6208 H 1 noname 0.0657 24 H6 0.7120 -2.9469 0.4000 H 1 noname 0.0657 25 H7 -0.6569 0.2385 2.4014 H 1 noname 0.0810 26 H8 -0.9328 -3.0090 -0.9342 H 1 noname 0.2106 27 H9 1.6363 -0.6384 0.6422 H 1 noname 0.0671 28 H10 2.2011 -0.1979 2.7692 H 1 noname 0.1337 29 H11 -0.4806 0.8690 0.5151 H 1 noname 0.2107 30 H12 -0.3793 2.2346 4.5049 H 1 noname 0.0522 31 H13 -0.9934 0.5818 3.8301 H 1 noname 0.0522 32 H14 0.2201 0.5153 6.4633 H 1 noname 0.1188 33 H15 -1.5035 0.5153 6.1642 H 1 noname 0.1188 @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 1 11 9 12 1 12 10 13 1 13 10 12 1 14 12 14 1 15 13 15 1 16 15 16 2 17 15 17 1 18 17 18 1 19 4 19 1 20 5 20 1 21 6 21 1 22 6 22 1 23 7 23 1 24 9 24 1 25 10 25 1 26 11 26 1 27 12 27 1 28 13 28 1 29 14 29 1 30 17 30 1 31 17 31 1 32 18 32 1 33 18 33 1 @SUBSTRUCTURE 1 noname 1