@MOLECULE DB04204 50 51 1 SMALL USER_CHARGES @ATOM 1 P1 13.8745 3.4970 -3.3542 P 1 noname 0.0498 2 O1 12.9634 2.7285 -4.1623 O.2 1 noname -0.2094 3 O2 15.1360 3.8256 -4.1741 O.3 1 noname -0.1783 4 O3 13.1922 4.8060 -2.9152 O.3 1 noname -0.1783 5 C1 14.2977 2.6231 -2.0201 C.3 1 noname 0.3751 6 F1 13.1746 2.3306 -1.2902 F 1 noname -0.1845 7 F2 14.9050 1.4578 -2.4110 F 1 noname -0.1845 8 C2 15.2213 3.4023 -1.2008 C.2 1 noname -0.0270 9 C3 14.7306 4.2425 -0.2082 C.2 1 noname -0.0349 10 C4 16.5915 3.3039 -1.4134 C.2 1 noname -0.0349 11 C5 15.6100 4.9844 0.5719 C.2 1 noname -0.0570 12 C6 17.4708 4.0457 -0.6333 C.2 1 noname -0.0570 13 C7 16.9801 4.8860 0.3593 C.2 1 noname -0.0556 14 C8 17.9038 5.6651 1.1786 C.3 1 noname 0.0055 15 C9 18.1567 7.0198 0.5140 C.3 1 noname -0.0489 16 C10 19.1246 7.8364 1.3726 C.3 1 noname -0.0489 17 C11 19.3775 9.1911 0.7080 C.3 1 noname 0.0055 18 C12 20.3012 9.9703 1.5273 C.2 1 noname -0.0556 19 C13 20.6826 11.2446 1.1239 C.2 1 noname -0.0570 20 C14 20.7991 9.4378 2.7108 C.2 1 noname -0.0570 21 C15 21.5620 11.9864 1.9040 C.2 1 noname -0.0349 22 C16 21.6785 10.1796 3.4909 C.2 1 noname -0.0349 23 C17 22.0599 11.4539 3.0875 C.2 1 noname -0.0270 24 C18 22.9836 12.2331 3.9068 C.3 1 noname 0.3751 25 P2 22.1292 13.1331 4.9942 P 1 noname 0.0498 26 F3 23.7181 13.0651 3.1019 F 1 noname -0.1845 27 F4 23.8264 11.3849 4.5776 F 1 noname -0.1845 28 O4 23.0402 13.9016 5.8023 O.2 1 noname -0.2094 29 O5 21.1825 14.0858 4.2407 O.3 1 noname -0.1783 30 O6 21.3041 12.1986 5.8983 O.3 1 noname -0.1783 31 H1 15.8644 4.0153 -3.5783 H 1 noname 0.2261 32 H2 13.1697 4.8492 -1.9564 H 1 noname 0.2261 33 H3 13.6562 4.3197 -0.0415 H 1 noname 0.0628 34 H4 16.9763 2.6450 -2.1918 H 1 noname 0.0628 35 H5 15.2252 5.6432 1.3503 H 1 noname 0.0625 36 H6 18.5452 3.9686 -0.8000 H 1 noname 0.0625 37 H7 17.3858 5.8516 2.1194 H 1 noname 0.0316 38 H8 18.8450 5.1155 1.1743 H 1 noname 0.0316 39 H9 18.6657 6.8178 -0.4284 H 1 noname 0.0270 40 H10 17.2065 7.5539 0.5167 H 1 noname 0.0270 41 H11 18.6156 8.0384 2.3151 H 1 noname 0.0270 42 H12 20.0748 7.3023 1.3700 H 1 noname 0.0270 43 H13 19.8955 9.0047 -0.2328 H 1 noname 0.0316 44 H14 18.4362 9.7407 0.7123 H 1 noname 0.0316 45 H15 20.2922 11.6621 0.1958 H 1 noname 0.0625 46 H16 20.4999 8.4385 3.0272 H 1 noname 0.0625 47 H17 21.8612 12.9856 1.5876 H 1 noname 0.0628 48 H18 22.0689 9.7621 4.4190 H 1 noname 0.0628 49 H19 20.6736 14.5979 4.8735 H 1 noname 0.2261 50 H20 21.4844 12.4027 6.8189 H 1 noname 0.2261 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 5 6 1 6 5 7 1 7 5 8 1 8 8 9 2 9 8 10 1 10 9 11 1 11 10 12 2 12 11 13 2 13 12 13 1 14 13 14 1 15 14 15 1 16 15 16 1 17 16 17 1 18 17 18 1 19 18 19 2 20 18 20 1 21 19 21 1 22 20 22 2 23 21 23 2 24 22 23 1 25 23 24 1 26 24 25 1 27 24 26 1 28 24 27 1 29 25 28 2 30 25 29 1 31 25 30 1 32 3 31 1 33 4 32 1 34 9 33 1 35 10 34 1 36 11 35 1 37 12 36 1 38 14 37 1 39 14 38 1 40 15 39 1 41 15 40 1 42 16 41 1 43 16 42 1 44 17 43 1 45 17 44 1 46 19 45 1 47 20 46 1 48 21 47 1 49 22 48 1 50 29 49 1 51 30 50 1 @SUBSTRUCTURE 1 noname 1