@MOLECULE DB03576 42 42 1 SMALL USER_CHARGES @ATOM 1 P1 -2.2731 -2.7810 -0.4439 P 1 noname 0.0155 2 O1 -3.1605 -3.0026 -1.5561 O.2 1 noname -0.1965 3 O2 -1.5457 -1.4362 -0.6275 O.3 1 noname -0.1511 4 O3 -1.2383 -3.9196 -0.3781 O.3 1 noname -0.1644 5 O4 -3.0864 -2.7504 0.8635 O.3 1 noname -0.1644 6 C1 -0.6707 -1.2177 0.4693 C.3 1 noname 0.0894 7 C2 0.0190 0.0573 0.2952 C.2 1 noname -0.0044 8 C3 1.4515 0.1171 0.2110 C.2 1 noname 0.0076 9 C4 -0.7149 1.2873 0.2033 C.2 1 noname -0.0060 10 C5 2.1511 1.3586 0.0399 C.2 1 noname 0.0324 11 C6 2.2187 -1.1217 0.3021 C.3 1 noname 0.0245 12 N1 -0.0165 2.4738 0.0382 N.2 1 noname -0.2528 13 O5 3.4983 1.3963 -0.0373 O.3 1 noname -0.2763 14 C7 1.3700 2.5561 -0.0460 C.2 1 noname 0.0275 15 N2 2.9956 -1.3049 -0.9228 N.3 1 noname -0.2990 16 C8 2.0224 3.8506 -0.2201 C.3 1 noname 0.0427 17 C9 3.7640 -2.5454 -0.8316 C.3 1 noname 0.1199 18 C10 4.5398 -2.7284 -2.0548 C.2 1 noname 0.1451 19 C11 2.8072 -3.7259 -0.6531 C.3 1 noname 0.0762 20 O6 5.7866 -2.7991 -1.9994 O.2 1 noname -0.2487 21 O7 3.9107 -2.8212 -3.2456 O.3 1 noname -0.2133 22 O8 3.5535 -4.9308 -0.5645 O.3 1 noname -0.3911 23 C12 1.8594 -3.8000 -1.8519 C.3 1 noname -0.0369 24 H1 -1.0492 -4.1276 0.5399 H 1 noname 0.2283 25 H2 -3.2650 -3.6490 1.1504 H 1 noname 0.2283 26 H3 -1.3037 -1.1250 1.3518 H 1 noname 0.0629 27 H4 0.0838 -2.0028 0.4198 H 1 noname 0.0629 28 H5 -1.8030 1.3202 0.2588 H 1 noname 0.0843 29 H6 2.9352 -0.9887 1.1127 H 1 noname 0.0480 30 H7 1.4961 -1.9367 0.3417 H 1 noname 0.0480 31 H8 3.8694 1.4066 0.8480 H 1 noname 0.2182 32 H9 3.0008 -0.6724 -1.7102 H 1 noname 0.1234 33 H10 2.2399 4.2822 0.7568 H 1 noname 0.0296 34 H11 2.9519 3.7175 -0.7736 H 1 noname 0.0296 35 H12 1.3624 4.5185 -0.7736 H 1 noname 0.0296 36 H13 4.4605 -2.4551 0.0019 H 1 noname 0.0601 37 H14 2.2573 -3.6543 0.2853 H 1 noname 0.0619 38 H15 3.7906 -3.7462 -3.4728 H 1 noname 0.2213 39 H16 3.6919 -5.1543 0.3588 H 1 noname 0.2105 40 H17 1.6652 -4.8441 -2.0975 H 1 noname 0.0257 41 H18 0.9208 -3.3044 -1.6041 H 1 noname 0.0257 42 H19 2.3171 -3.3044 -2.7081 H 1 noname 0.0257 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 8 10 1 10 8 11 1 11 9 12 2 12 10 13 1 13 10 14 2 14 11 15 1 15 12 14 1 16 14 16 1 17 15 17 1 18 17 18 1 19 17 19 1 20 18 20 2 21 18 21 1 22 19 22 1 23 19 23 1 24 4 24 1 25 5 25 1 26 6 26 1 27 6 27 1 28 9 28 1 29 11 29 1 30 11 30 1 31 13 31 1 32 15 32 1 33 16 33 1 34 16 34 1 35 16 35 1 36 17 36 1 37 19 37 1 38 21 38 1 39 22 39 1 40 23 40 1 41 23 41 1 42 23 42 1 @SUBSTRUCTURE 1 noname 1