@MOLECULE DB02312 29 29 1 SMALL USER_CHARGES @ATOM 1 P1 -3.7392 -1.2440 0.1890 P 1 noname 0.0149 2 O1 -4.0606 -2.6246 0.4423 O.2 1 noname -0.1967 3 O2 -2.2116 -1.0551 0.2387 O.3 1 noname -0.1525 4 O3 -4.2611 -0.8425 -1.2031 O.3 1 noname -0.1645 5 O4 -4.4011 -0.3579 1.2606 O.3 1 noname -0.1645 6 C1 -1.8947 0.3063 -0.0111 C.3 1 noname 0.0915 7 C2 -0.3690 0.4950 0.0385 C.3 1 noname 0.1136 8 O5 0.2449 -0.3477 -0.9788 O.3 1 noname -0.3414 9 C3 -0.0868 2.0252 -0.0376 C.3 1 noname 0.1112 10 C4 1.5241 0.0595 -1.5554 C.3 1 noname 0.1838 11 O6 -1.2718 2.7413 0.2777 O.3 1 noname -0.3874 12 C5 0.4090 2.4410 -1.4482 C.3 1 noname 0.1134 13 O7 1.8572 -0.8085 -2.6287 O.3 1 noname -0.3656 14 C6 1.5010 1.5338 -2.0666 C.3 1 noname 0.1331 15 O8 -0.6976 2.5210 -2.3344 O.3 1 noname -0.3873 16 O9 2.7766 2.1245 -1.8658 O.3 1 noname -0.3849 17 H1 -4.4523 -1.6329 -1.7134 H 1 noname 0.2283 18 H2 -4.1617 -0.6783 2.1333 H 1 noname 0.2283 19 H3 -2.2272 0.4981 -1.0313 H 1 noname 0.0605 20 H4 -2.3323 0.8619 0.8183 H 1 noname 0.0605 21 H5 0.1221 0.1056 0.9303 H 1 noname 0.0657 22 H6 0.6367 2.3220 0.7217 H 1 noname 0.0657 23 H7 2.2720 -0.0943 -0.7775 H 1 noname 0.0949 24 H8 -1.3669 2.7988 1.2313 H 1 noname 0.2106 25 H9 0.8222 3.4468 -1.3721 H 1 noname 0.0658 26 H10 1.7683 -1.7205 -2.3422 H 1 noname 0.2134 27 H11 1.3336 1.5148 -3.1435 H 1 noname 0.0682 28 H12 -1.5104 2.5798 -1.8269 H 1 noname 0.2106 29 H13 2.9480 2.2038 -0.9246 H 1 noname 0.2108 @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 14 1 14 12 15 1 15 12 14 1 16 14 16 1 17 4 17 1 18 5 18 1 19 6 19 1 20 6 20 1 21 7 21 1 22 9 22 1 23 10 23 1 24 11 24 1 25 12 25 1 26 13 26 1 27 14 27 1 28 15 28 1 29 16 29 1 @SUBSTRUCTURE 1 noname 1