@MOLECULE DB07487 29 30 1 SMALL USER_CHARGES @ATOM 1 P1 4.1957 -0.3755 0.0434 P 1 noname -0.2069 2 O1 5.4686 -1.0488 0.0424 O.2 1 noname -0.4548 3 O2 4.0794 1.0522 -0.5221 O.3 1 noname -0.4548 4 C1 2.8619 -1.1336 0.6506 C.3 1 noname 0.0165 5 C2 1.6428 -0.2005 0.5323 C.3 1 noname 0.0664 6 O3 1.3927 0.1471 -0.8543 O.3 1 noname -0.2742 7 C3 0.3999 -0.8066 1.2402 C.3 1 noname -0.0221 8 C4 0.7852 -0.8209 -1.6579 C.2 1 noname -0.0151 9 C5 -0.4593 -1.7512 0.3559 C.3 1 noname 0.0183 10 C6 -0.1111 -1.7959 -1.0990 C.2 1 noname -0.0291 11 C7 1.0564 -0.7793 -3.0576 C.2 1 noname -0.0343 12 C8 -0.7126 -2.7978 -1.9200 C.2 1 noname -0.0607 13 C9 0.4128 -1.7484 -3.8804 C.2 1 noname -0.0650 14 C10 -0.4486 -2.7468 -3.3184 C.2 1 noname -0.0712 15 C11 -1.0686 -3.7327 -4.1988 C.3 1 noname -0.0043 16 H1 5.5212 -0.3472 -0.2597 H 1 noname 0.0723 17 H2 2.6401 -1.9874 0.0104 H 1 noname 0.0307 18 H3 3.0159 -1.2795 1.7198 H 1 noname 0.0307 19 H4 1.8649 0.7652 0.9865 H 1 noname 0.0607 20 H5 0.7943 -1.4324 2.0407 H 1 noname 0.0296 21 H6 -0.2445 0.0399 1.4773 H 1 noname 0.0296 22 H7 -0.2634 -2.7613 0.7154 H 1 noname 0.0318 23 H8 -1.4725 -1.3500 0.3826 H 1 noname 0.0318 24 H9 1.7302 -0.0351 -3.4823 H 1 noname 0.0650 25 H10 -1.3499 -3.5731 -1.4949 H 1 noname 0.0629 26 H11 0.5820 -1.7255 -4.9570 H 1 noname 0.0626 27 H12 -1.5528 -4.5026 -3.5980 H 1 noname 0.0279 28 H13 -1.8114 -3.2420 -4.8278 H 1 noname 0.0279 29 H14 -0.3046 -4.1896 -4.8278 H 1 noname 0.0279 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 5 4 1 5 5 6 1 6 5 7 1 7 6 8 1 8 7 9 1 9 8 10 2 10 8 11 1 11 9 10 1 12 10 12 1 13 11 13 2 14 12 14 2 15 13 14 1 16 14 15 1 17 1 16 1 18 4 17 1 19 4 18 1 20 5 19 1 21 7 20 1 22 7 21 1 23 9 22 1 24 9 23 1 25 11 24 1 26 12 25 1 27 13 26 1 28 15 27 1 29 15 28 1 30 15 29 1 @SUBSTRUCTURE 1 noname 1