@MOLECULE DB02007 29 29 1 SMALL USER_CHARGES @ATOM 1 P1 -2.7084 -1.8137 -1.4635 P 1 noname 0.0149 2 O1 -3.1537 -3.1073 -1.0140 O.2 1 noname -0.1967 3 O2 -1.5272 -1.3463 -0.5929 O.3 1 noname -0.1525 4 O3 -2.2573 -1.9082 -2.9329 O.3 1 noname -0.1645 5 O4 -3.8646 -0.8033 -1.3455 O.3 1 noname -0.1645 6 C1 -1.0882 -0.0707 -1.0363 C.3 1 noname 0.0915 7 C2 0.0915 0.3962 -0.1668 C.3 1 noname 0.1136 8 O5 1.1777 -0.5670 -0.2869 O.3 1 noname -0.3414 9 C3 0.4011 1.8724 -0.5567 C.3 1 noname 0.1112 10 C4 2.5520 -0.1090 -0.0976 C.3 1 noname 0.1838 11 O6 0.5903 2.6433 0.6208 O.3 1 noname -0.3874 12 C5 1.6679 1.9698 -1.4480 C.3 1 noname 0.1134 13 O7 2.7633 0.2007 1.2721 O.3 1 noname -0.3656 14 C6 2.8856 1.1407 -0.9710 C.3 1 noname 0.1331 15 O8 1.3388 1.6041 -2.7800 O.3 1 noname -0.3873 16 O9 3.7857 1.9836 -0.2669 O.3 1 noname -0.3849 17 H1 -2.1798 -2.8313 -3.1851 H 1 noname 0.2283 18 H2 -4.0526 -0.6390 -0.4185 H 1 noname 0.2283 19 H3 -0.7208 -0.2278 -2.0504 H 1 noname 0.0605 20 H4 -1.9275 0.6017 -0.8587 H 1 noname 0.0605 21 H5 -0.0771 0.3601 0.9095 H 1 noname 0.0657 22 H6 -0.4529 2.3253 -1.0603 H 1 noname 0.0657 23 H7 3.1921 -0.9589 -0.3344 H 1 noname 0.0949 24 H8 0.7110 2.0568 1.3712 H 1 noname 0.2106 25 H9 1.9740 3.0156 -1.4773 H 1 noname 0.0658 26 H10 2.8410 -0.6128 1.7758 H 1 noname 0.2134 27 H11 3.4126 0.7987 -1.8617 H 1 noname 0.0682 28 H12 1.3205 0.6472 -2.8539 H 1 noname 0.2106 29 H13 3.6610 1.8668 0.6777 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