@MOLECULE 91754684 44 43 1 SMALL USER_CHARGES @ATOM 1 P1 3.4921 -1.6625 -0.7219 P 1 noname 0.0256 2 O1 3.9688 -2.9321 -0.1118 O.2 1 noname -0.2952 3 C1 4.7707 -0.4483 -0.6207 C.3 1 noname 0.0130 4 C2 3.0728 -1.9828 -2.3855 C.3 1 noname 0.0130 5 C3 2.0501 -1.1608 0.1465 C.3 1 noname 0.0074 6 C4 1.4049 0.1170 -0.4354 C.3 1 noname -0.0446 7 C5 0.1858 0.6434 0.3220 C.3 1 noname -0.0527 8 C6 1.9439 -3.0154 -2.5588 C.3 1 noname -0.0540 9 C7 4.2464 -2.4710 -3.2473 C.3 1 noname -0.0540 10 C8 5.2212 -0.2423 0.8440 C.3 1 noname -0.0540 11 C9 4.5451 0.9464 -1.3299 C.3 1 noname -0.0540 12 C10 -0.2993 1.9721 -0.3165 C.3 1 noname -0.0533 13 C11 -1.4544 2.5484 0.4935 C.3 1 noname -0.0535 14 C12 -1.8727 3.8347 -0.1905 C.3 1 noname -0.0561 15 C13 -3.0876 4.2837 0.6070 C.3 1 noname -0.0654 16 H1 5.6523 -0.8793 -1.1197 H 1 noname 0.0401 17 H2 2.7379 -1.0676 -2.8680 H 1 noname 0.0401 18 H3 1.3269 -1.9839 0.1731 H 1 noname 0.0370 19 H4 2.3255 -0.9813 1.1934 H 1 noname 0.0370 20 H5 1.1863 0.0674 -1.5066 H 1 noname 0.0273 21 H6 2.0824 0.9057 -0.2117 H 1 noname 0.0273 22 H7 -0.5988 -0.1231 0.2909 H 1 noname 0.0267 23 H8 0.5171 0.8213 1.3662 H 1 noname 0.0267 24 H9 5.4184 1.5803 -1.4357 H 1 noname 0.0240 25 H10 3.8139 1.6050 -0.8855 H 1 noname 0.0240 26 H11 4.2112 0.7239 -2.3434 H 1 noname 0.0240 27 H12 6.0091 0.5101 0.8794 H 1 noname 0.0240 28 H13 4.3729 0.0916 1.4415 H 1 noname 0.0240 29 H14 5.5991 -1.1833 1.2437 H 1 noname 0.0240 30 H15 3.9008 -2.6465 -4.2660 H 1 noname 0.0240 31 H16 4.6406 -3.3987 -2.8324 H 1 noname 0.0240 32 H17 5.0310 -1.7143 -3.2551 H 1 noname 0.0240 33 H18 1.7425 -3.1588 -3.6204 H 1 noname 0.0240 34 H19 1.0424 -2.6547 -2.0635 H 1 noname 0.0240 35 H20 2.2476 -3.9636 -2.1153 H 1 noname 0.0240 36 H21 -0.6298 1.7848 -1.3382 H 1 noname 0.0266 37 H22 0.4986 2.7146 -0.3272 H 1 noname 0.0266 38 H23 -2.2880 1.8462 0.4880 H 1 noname 0.0266 39 H24 -1.1709 2.7481 1.5269 H 1 noname 0.0266 40 H25 -2.1708 3.6201 -1.2167 H 1 noname 0.0264 41 H26 -1.0688 4.5706 -0.1740 H 1 noname 0.0264 42 H27 -3.4717 5.2149 0.1906 H 1 noname 0.0230 43 H28 -3.8601 3.5165 0.5550 H 1 noname 0.0230 44 H29 -2.8015 4.4414 1.6469 H 1 noname 0.0230 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 10 1 6 3 11 1 7 3 16 1 8 4 8 1 9 4 9 1 10 4 17 1 11 5 6 1 12 5 18 1 13 5 19 1 14 6 7 1 15 6 20 1 16 6 21 1 17 7 12 1 18 7 22 1 19 7 23 1 20 8 33 1 21 8 34 1 22 8 35 1 23 9 30 1 24 9 31 1 25 9 32 1 26 10 27 1 27 10 28 1 28 10 29 1 29 11 24 1 30 11 25 1 31 11 26 1 32 12 13 1 33 12 36 1 34 12 37 1 35 13 14 1 36 13 38 1 37 13 39 1 38 14 15 1 39 14 40 1 40 14 41 1 41 15 42 1 42 15 43 1 43 15 44 1 @SUBSTRUCTURE 1 noname 1