@MOLECULE DB03358 53 55 1 SMALL USER_CHARGES @ATOM 1 P1 0.0508 -1.6659 -0.8949 P 1 noname 0.1090 2 O1 -1.3910 -1.7201 -1.2566 O.2 1 noname -0.1763 3 O2 0.2025 -2.4652 0.4893 O.3 1 noname -0.0201 4 O3 0.4441 -0.1066 -0.9659 O.3 1 noname -0.0210 5 O4 0.7731 -2.4649 -2.0563 O.3 1 noname -0.1517 6 P2 1.6568 -2.9501 0.9880 P 1 noname 0.0686 7 P3 1.5511 0.5260 -0.0809 P 1 noname 0.0637 8 O5 1.5092 -3.9613 2.0526 O.2 1 noname -0.1855 9 O6 2.3862 -1.6610 1.5351 O.3 1 noname -0.1455 10 O7 2.4316 -3.6312 -0.2185 O.3 1 noname -0.1575 11 O8 1.6610 1.9302 -0.3803 O.2 1 noname -0.1869 12 O9 1.1869 0.3448 1.4044 O.3 1 noname -0.1584 13 O10 2.8961 -0.1669 -0.3679 O.3 1 noname -0.1584 14 C1 3.8007 -1.7029 1.4410 C.3 1 noname 0.0915 15 C2 4.3415 -0.2970 1.6959 C.3 1 noname 0.1127 16 O11 3.6315 0.4280 2.7021 O.3 1 noname -0.3512 17 C3 5.7991 -0.3676 2.1530 C.3 1 noname 0.1124 18 C4 4.5902 1.4304 3.0315 C.3 1 noname 0.1456 19 O12 6.6188 -0.0190 1.0342 O.3 1 noname -0.3873 20 C5 5.8515 0.6225 3.3224 C.3 1 noname 0.1226 21 N1 4.1610 2.4661 3.9150 N.3 1 noname -0.0987 22 O13 7.0420 1.3933 3.2921 O.3 1 noname -0.3860 23 C6 2.9706 3.0392 3.7379 C.2 1 noname -0.1000 24 C7 5.0279 3.3796 4.5948 C.3 1 noname 0.0632 25 N2 1.7915 2.5407 3.2910 N.3 1 noname 0.0147 26 C8 3.1465 4.3944 3.9342 C.2 1 noname -0.0361 27 N3 4.3589 4.6260 4.4424 N.3 1 noname -0.1073 28 C9 0.7908 3.3717 3.0033 C.2 1 noname 0.0145 29 C10 2.0998 5.2465 3.5599 C.2 1 noname 0.0394 30 C11 4.2300 5.2473 5.7015 C.3 1 noname -0.0069 31 N4 0.9456 4.6959 3.0950 N.2 1 noname -0.1689 32 N5 -0.3059 2.8919 2.5878 N.2 1 noname -0.2283 33 O14 2.2444 6.5794 3.6454 O.3 1 noname -0.2512 34 H1 0.6779 -3.4079 -1.9033 H 1 noname 0.2283 35 H2 2.3779 -4.5860 -0.1350 H 1 noname 0.2283 36 H3 1.1366 -0.5917 1.6096 H 1 noname 0.2283 37 H4 3.3256 -0.3881 0.4618 H 1 noname 0.2283 38 H5 4.1324 -2.3488 2.2540 H 1 noname 0.0605 39 H6 4.0206 -1.9710 0.4076 H 1 noname 0.0605 40 H7 4.1848 0.2727 0.7799 H 1 noname 0.0657 41 H8 6.2032 -1.3403 2.4335 H 1 noname 0.0657 42 H9 4.7098 2.1625 2.2328 H 1 noname 0.0812 43 H10 6.9326 -0.8187 0.6059 H 1 noname 0.2106 44 H11 5.9352 0.2234 4.3333 H 1 noname 0.0671 45 H12 7.3267 1.5777 4.1902 H 1 noname 0.2107 46 H13 5.0293 3.1241 5.6544 H 1 noname 0.0610 47 H14 5.9678 3.4310 4.0453 H 1 noname 0.0610 48 H15 1.6581 1.5467 3.1721 H 1 noname 0.1383 49 H16 4.1506 4.4849 6.4765 H 1 noname 0.0398 50 H17 5.1052 5.8686 5.8914 H 1 noname 0.0398 51 H18 3.3345 5.8686 5.7101 H 1 noname 0.0398 52 H19 -0.8833 2.6393 3.3771 H 1 noname 0.1904 53 H20 2.2727 6.8397 4.5690 H 1 noname 0.2199 @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 7 11 2 11 7 12 1 12 7 13 1 13 9 14 1 14 15 14 1 15 15 16 1 16 15 17 1 17 16 18 1 18 17 19 1 19 17 20 1 20 18 21 1 21 18 20 1 22 20 22 1 23 21 23 1 24 21 24 1 25 23 25 1 26 23 26 2 27 24 27 1 28 25 28 1 29 26 29 1 30 26 27 1 31 27 30 1 32 28 31 1 33 28 32 2 34 29 33 1 35 29 31 2 36 5 34 1 37 10 35 1 38 12 36 1 39 13 37 1 40 14 38 1 41 14 39 1 42 15 40 1 43 17 41 1 44 18 42 1 45 19 43 1 46 20 44 1 47 22 45 1 48 24 46 1 49 24 47 1 50 25 48 1 51 30 49 1 52 30 50 1 53 30 51 1 54 32 52 1 55 33 53 1 @SUBSTRUCTURE 1 noname 1