@MOLECULE 56927892 41 43 1 SMALL USER_CHARGES @ATOM 1 P1 6.9920 -0.8621 -3.0781 P 1 noname 0.0664 2 P2 9.0419 -1.7057 -4.2659 P 1 noname 0.0622 3 O1 6.7004 -2.2863 -2.5699 O.3 1 noname -0.1471 4 O2 8.5116 -0.6788 -3.2481 O.3 1 noname -0.0281 5 O3 6.2943 -0.6481 -4.4342 O.3 1 noname -0.1576 6 O4 -2.0015 -7.4361 -3.9150 O.2 1 noname -0.2466 7 O5 6.4962 0.0980 -2.1264 O.2 1 noname -0.1857 8 O6 10.5615 -1.5224 -4.4359 O.3 1 noname -0.1585 9 O7 8.7503 -3.1299 -3.7577 O.3 1 noname -0.1585 10 O8 8.3895 -1.5056 -5.5339 O.2 1 noname -0.1871 11 N1 2.0628 -6.1757 -2.3755 N.3 1 noname 0.0069 12 N2 0.5517 -4.3681 -3.1877 N.3 1 noname 0.0730 13 N3 0.6629 -7.8865 -2.7830 N.2 1 noname -0.2107 14 N4 -1.5273 -5.2007 -3.9566 N.2 1 noname -0.1576 15 N5 -1.0789 -2.8892 -4.0182 N.3 1 noname -0.1336 16 C1 3.3291 -5.5732 -1.9697 C.3 1 noname 0.0475 17 C2 3.4928 -4.0532 -1.7386 C.3 1 noname -0.0219 18 C3 5.0096 -3.8703 -1.9082 C.3 1 noname 0.0034 19 C4 4.3672 -5.7863 -2.9548 C.2 1 noname -0.0722 20 C5 5.2693 -4.8108 -2.9518 C.2 1 noname -0.0763 21 C6 5.2993 -2.4553 -2.4132 C.3 1 noname 0.0688 22 C7 0.9219 -5.6549 -2.8957 C.2 1 noname 0.0039 23 C8 1.8719 -7.5259 -2.3234 C.2 1 noname -0.0383 24 C9 0.0727 -6.7453 -3.1384 C.2 1 noname 0.0604 25 C10 -1.2019 -6.5030 -3.6860 C.2 1 noname 0.1447 26 C11 -0.6889 -4.1370 -3.7242 C.2 1 noname -0.0478 27 H1 3.6367 -6.0203 -1.0145 H 1 noname 0.0554 28 H2 3.2096 -3.8088 -0.7148 H 1 noname 0.0296 29 H3 2.9608 -3.4985 -2.5115 H 1 noname 0.0296 30 H4 5.5930 -4.1251 -1.0235 H 1 noname 0.0370 31 H5 4.4014 -6.5683 -3.5609 H 1 noname 0.0592 32 H6 6.0235 -4.7443 -3.5897 H 1 noname 0.0577 33 H7 4.9240 -1.7285 -1.6928 H 1 noname 0.0583 34 H8 4.8054 -2.3039 -3.3730 H 1 noname 0.0583 35 H9 2.5677 -8.1854 -1.9752 H 1 noname 0.1015 36 H10 1.1589 -3.6311 -3.0174 H 1 noname 0.0676 37 H11 -1.9762 -2.9091 -4.3862 H 1 noname 0.1257 38 H12 -1.0720 -2.3499 -3.2119 H 1 noname 0.1257 39 H13 6.4799 0.2582 -4.7576 H 1 noname 0.2283 40 H14 9.0877 -3.7833 -4.4054 H 1 noname 0.2283 41 H15 11.0055 -1.6586 -3.5729 H 1 noname 0.2283 @BOND 1 1 3 1 2 1 4 1 3 1 5 1 4 1 7 2 5 2 4 1 6 2 8 1 7 2 9 1 8 2 10 2 9 3 21 1 10 5 39 1 11 6 25 2 12 8 41 1 13 9 40 1 14 16 11 1 15 11 22 1 16 11 23 1 17 12 22 1 18 12 26 1 19 12 36 1 20 13 23 2 21 13 24 1 22 14 25 1 23 14 26 2 24 15 26 1 25 15 37 1 26 15 38 1 27 16 17 1 28 16 19 1 29 16 27 1 30 17 18 1 31 17 28 1 32 17 29 1 33 18 20 1 34 18 21 1 35 18 30 1 36 19 20 2 37 19 31 1 38 20 32 1 39 21 33 1 40 21 34 1 41 22 24 2 42 23 35 1 43 24 25 1 @SUBSTRUCTURE 1 noname 1