@MOLECULE 73425453 62 61 1 SMALL USER_CHARGES @ATOM 1 P1 0.1289 -0.4294 -0.1154 P 1 noname 0.0188 2 F1 -2.5139 -5.9869 4.2284 F 1 noname -0.1922 3 F2 7.2337 1.4701 -1.7441 F 1 noname -0.1922 4 F3 7.4129 -0.7459 -2.0080 F 1 noname -0.1922 5 F4 -1.2605 -4.9367 5.7576 F 1 noname -0.1922 6 F5 -2.6869 -2.6078 5.3273 F 1 noname -0.1925 7 F6 -3.9403 -3.6580 3.7980 F 1 noname -0.1925 8 F7 6.5563 -1.1249 0.5932 F 1 noname -0.1925 9 F8 6.3771 1.0910 0.8571 F 1 noname -0.1925 10 F9 9.0178 -0.8837 0.2391 F 1 noname -0.1922 11 F10 8.8386 1.3323 0.5030 F 1 noname -0.1922 12 F11 -3.5497 -4.1500 7.0935 F 1 noname -0.1922 13 F12 -4.8030 -5.2002 5.5643 F 1 noname -0.1922 14 F13 -1.6511 -4.4447 2.4621 F 1 noname -0.1995 15 F14 -0.3977 -3.3945 3.9914 F 1 noname -0.1995 16 F15 4.7723 1.2289 -1.3900 F 1 noname -0.1995 17 F16 4.9515 -0.9871 -1.6539 F 1 noname -0.1995 18 F17 9.8744 -0.5047 -2.3622 F 1 noname -0.1921 19 F18 9.6952 1.7113 -2.0983 F 1 noname -0.1921 20 F19 -2.1233 -6.4790 7.5238 F 1 noname -0.1921 21 F20 -3.3766 -7.5292 5.9946 F 1 noname -0.1921 22 F21 -5.6658 -6.7424 7.3305 F 1 noname -0.1889 23 F22 11.3000 1.5735 0.1488 F 1 noname -0.1889 24 F23 11.4792 -0.6425 -0.1151 F 1 noname -0.1889 25 F24 -4.4125 -5.6922 8.8597 F 1 noname -0.1889 26 F25 -5.1917 -8.2374 9.6074 F 1 noname -0.1647 27 F26 13.5892 0.7867 -1.1871 F 1 noname -0.1647 28 F27 -2.9861 -8.0212 9.2901 F 1 noname -0.1647 29 F28 -4.2394 -9.0714 7.7608 F 1 noname -0.1647 30 F29 12.3359 -0.2634 -2.7163 F 1 noname -0.1647 31 F30 12.1567 1.9525 -2.4524 F 1 noname -0.1647 32 O1 -0.9750 -0.6439 0.9367 O.3 1 noname -0.1534 33 O2 1.5026 -0.4011 0.5803 O.3 1 noname -0.1534 34 O3 0.0947 -1.5808 -1.1375 O.3 1 noname -0.1637 35 O4 -0.0913 0.8215 -0.7939 O.2 1 noname -0.1955 36 C1 -2.4834 -4.9619 5.1383 C.3 1 noname 0.3842 37 C2 7.4434 0.2792 -1.0981 C.3 1 noname 0.3842 38 C3 -2.7174 -3.6328 4.4173 C.3 1 noname 0.3780 39 C4 6.3466 0.0660 -0.0528 C.3 1 noname 0.3780 40 C5 -3.5802 -5.1751 6.1836 C.3 1 noname 0.3846 41 C6 8.8081 0.3072 -0.4070 C.3 1 noname 0.3846 42 C7 -1.6206 -3.4197 3.3721 C.3 1 noname 0.3186 43 C8 4.9819 0.0379 -0.7440 C.3 1 noname 0.3186 44 C9 -3.3462 -6.5041 6.9045 C.3 1 noname 0.3873 45 C10 9.9048 0.5204 -1.4522 C.3 1 noname 0.3873 46 C11 -1.8546 -2.0906 2.6511 C.3 1 noname 0.0421 47 C12 3.8852 -0.1752 0.3013 C.3 1 noname 0.0421 48 C13 -4.4429 -6.7173 7.9498 C.3 1 noname 0.4091 49 C14 11.2696 0.5484 -0.7611 C.3 1 noname 0.4091 50 C15 -0.7578 -1.8774 1.6058 C.3 1 noname 0.0684 51 C16 2.5205 -0.2033 -0.3898 C.3 1 noname 0.0684 52 C17 -4.2090 -8.0463 8.6708 C.3 1 noname 0.4597 53 C18 12.3663 0.7616 -1.8064 C.3 1 noname 0.4597 54 H1 -2.8268 -2.1106 2.1587 H 1 noname 0.0354 55 H2 -1.8304 -1.2756 3.3746 H 1 noname 0.0354 56 H3 4.0519 -1.1221 0.8149 H 1 noname 0.0354 57 H4 3.9094 0.6397 1.0247 H 1 noname 0.0354 58 H5 2.4962 -1.0182 -1.1133 H 1 noname 0.0579 59 H6 2.3538 0.7436 -0.9035 H 1 noname 0.0579 60 H7 -0.7821 -2.6924 0.8824 H 1 noname 0.0579 61 H8 0.2144 -1.8575 2.0982 H 1 noname 0.0579 62 H9 -0.7794 -1.5987 -1.5802 H 1 noname 0.2283 @BOND 1 1 32 1 2 1 33 1 3 1 34 1 4 1 35 2 5 2 36 1 6 3 37 1 7 4 37 1 8 5 36 1 9 6 38 1 10 7 38 1 11 8 39 1 12 9 39 1 13 10 41 1 14 11 41 1 15 12 40 1 16 13 40 1 17 14 42 1 18 15 42 1 19 16 43 1 20 17 43 1 21 18 45 1 22 19 45 1 23 20 44 1 24 21 44 1 25 22 48 1 26 23 49 1 27 24 49 1 28 25 48 1 29 26 52 1 30 27 53 1 31 28 52 1 32 29 52 1 33 30 53 1 34 31 53 1 35 32 50 1 36 33 51 1 37 34 62 1 38 36 38 1 39 36 40 1 40 37 39 1 41 37 41 1 42 38 42 1 43 39 43 1 44 40 44 1 45 41 45 1 46 42 46 1 47 43 47 1 48 44 48 1 49 45 49 1 50 46 50 1 51 46 54 1 52 46 55 1 53 47 51 1 54 47 56 1 55 47 57 1 56 48 52 1 57 49 53 1 58 50 60 1 59 50 61 1 60 51 58 1 61 51 59 1 @SUBSTRUCTURE 1 noname 1