@MOLECULE DB04143 33 34 1 SMALL USER_CHARGES @ATOM 1 P1 4.9501 -3.4204 2.3005 P 1 noname 0.0149 2 O1 5.4003 -3.5289 3.6641 O.2 1 noname -0.1967 3 O2 4.1998 -2.0888 2.1121 O.3 1 noname -0.1525 4 O3 4.0048 -4.5924 1.9772 O.3 1 noname -0.1645 5 O4 6.1642 -3.4640 1.3541 O.3 1 noname -0.1645 6 C1 3.7559 -1.9818 0.7675 C.3 1 noname 0.0913 7 C2 3.0105 -0.6588 0.5803 C.3 1 noname 0.1085 8 O5 1.8911 -0.6186 1.4530 O.3 1 noname -0.3875 9 C3 2.5322 -0.5435 -0.8684 C.3 1 noname 0.1091 10 O6 3.6517 -0.5837 -1.7411 O.3 1 noname -0.3854 11 C4 1.8210 0.7190 -1.0471 C.2 1 noname -0.0192 12 C5 0.4578 0.9512 -0.8756 C.2 1 noname -0.0256 13 C6 2.3639 1.9508 -1.4265 C.2 1 noname -0.0967 14 C7 0.2237 2.3135 -1.1249 C.2 1 noname -0.0865 15 C8 -0.6052 0.0272 -0.6305 C.2 1 noname -0.0379 16 N1 1.3933 2.8915 -1.4528 N.3 1 noname -0.0740 17 C9 -1.0973 2.8686 -1.1264 C.2 1 noname -0.0438 18 C10 -1.9297 0.5574 -0.6802 C.2 1 noname -0.0538 19 C11 -2.1699 1.9508 -0.9171 C.2 1 noname -0.0511 20 H1 3.6891 -4.9838 2.7950 H 1 noname 0.2283 21 H2 6.9723 -3.4930 1.8714 H 1 noname 0.2283 22 H3 4.6628 -1.9467 0.1638 H 1 noname 0.0605 23 H4 3.0417 -2.7939 0.6316 H 1 noname 0.0605 24 H5 3.6312 0.1913 0.8634 H 1 noname 0.0656 25 H6 2.1947 -0.6295 2.3637 H 1 noname 0.2106 26 H7 1.8762 -1.3627 -1.1625 H 1 noname 0.0681 27 H8 4.4599 -0.6127 -1.2238 H 1 noname 0.2110 28 H9 3.4072 2.1515 -1.6699 H 1 noname 0.0793 29 H10 -0.4160 -1.0248 -0.4172 H 1 noname 0.0629 30 H11 1.5212 3.8672 -1.6804 H 1 noname 0.1522 31 H12 -1.2769 3.9328 -1.2788 H 1 noname 0.0642 32 H13 -2.7747 -0.1154 -0.5344 H 1 noname 0.0622 33 H14 -3.1945 2.3221 -0.9385 H 1 noname 0.0623 @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 1 8 7 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 11 13 2 13 12 14 2 14 12 15 1 15 13 16 1 16 14 17 1 17 14 16 1 18 15 18 2 19 17 19 2 20 18 19 1 21 4 20 1 22 5 21 1 23 6 22 1 24 6 23 1 25 7 24 1 26 8 25 1 27 9 26 1 28 10 27 1 29 13 28 1 30 15 29 1 31 16 30 1 32 17 31 1 33 18 32 1 34 19 33 1 @SUBSTRUCTURE 1 noname 1