@MOLECULE DB06441 69 71 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.6084 -4.9082 14.1005 Cl 1 noname -0.0699 2 C1 0.4741 -4.0090 15.0964 C.3 1 noname 0.3281 3 Cl2 -0.6254 -5.1279 15.8877 Cl 1 noname -0.0699 4 P1 -0.3874 -2.9700 14.1473 P 1 noname 0.0922 5 P2 1.3029 -3.1527 16.2376 P 1 noname 0.0382 6 O1 -1.1107 -3.7173 13.1513 O.2 1 noname -0.2052 7 O2 0.5763 -1.9893 13.4537 O.3 1 noname -0.0332 8 O3 -1.3816 -2.1818 15.0202 O.3 1 noname -0.1766 9 O4 2.0548 -4.0595 17.0659 O.2 1 noname -0.2165 10 O5 2.2666 -2.1720 15.5440 O.3 1 noname -0.1837 11 O6 0.3087 -2.3645 17.1105 O.3 1 noname -0.1837 12 P3 -0.2278 -1.0195 12.5679 P 1 noname 0.0593 13 O7 0.6733 -0.1025 11.9194 O.2 1 noname -0.1872 14 O8 -1.0013 -1.8187 11.5028 O.3 1 noname -0.1465 15 O9 -1.2220 -0.2314 13.4408 O.3 1 noname -0.1585 16 C2 -1.7428 -0.9246 10.6860 C.3 1 noname 0.0915 17 C3 -2.5113 -1.7186 9.6278 C.3 1 noname 0.1130 18 O10 -1.5998 -2.4412 8.8275 O.3 1 noname -0.3483 19 C4 -3.2256 -0.7487 8.6802 C.3 1 noname 0.1127 20 C5 -2.3348 -2.6304 7.6291 C.3 1 noname 0.1590 21 O11 -4.6274 -0.8247 8.8936 O.3 1 noname -0.3873 22 C6 -2.8958 -1.2573 7.2788 C.3 1 noname 0.1258 23 N1 -1.5171 -3.2075 6.6230 N.3 1 noname 0.0292 24 O12 -4.0964 -1.4118 6.5366 O.3 1 noname -0.3857 25 C7 -0.3599 -2.7173 6.1454 C.2 1 noname 0.1250 26 C8 -1.7492 -4.4049 6.0441 C.2 1 noname -0.0346 27 N2 0.2869 -1.5455 6.4170 N.2 1 noname -0.2304 28 C9 0.1262 -3.6818 5.2626 C.2 1 noname 0.0169 29 N3 -0.7350 -4.7015 5.1958 N.2 1 noname -0.2192 30 C10 1.4885 -1.2984 5.8110 C.2 1 noname 0.0814 31 C11 1.3706 -3.4255 4.6441 C.2 1 noname 0.0768 32 S1 2.3478 0.1715 6.1175 S.3 1 noname -0.0364 33 N4 1.9967 -2.2423 4.9548 N.2 1 noname -0.2427 34 N5 1.9179 -4.3005 3.7894 N.3 1 noname -0.0916 35 C12 1.4131 1.1823 7.2771 C.3 1 noname 0.0096 36 C13 3.1712 -4.7180 4.2824 C.3 1 noname 0.0106 37 C14 2.1731 2.4822 7.5482 C.3 1 noname 0.0529 38 C15 3.7960 -5.7171 3.3066 C.3 1 noname 0.0060 39 C16 1.3786 3.3414 8.5339 C.3 1 noname 0.3896 40 S2 5.3960 -6.2500 3.9360 S.3 1 noname -0.1640 41 F1 2.0596 4.5062 8.7768 F 1 noname -0.1711 42 F2 1.2140 2.6547 9.7090 F 1 noname -0.1711 43 F3 0.1504 3.6330 7.9991 F 1 noname -0.1711 44 C17 6.1311 -7.4254 2.7879 C.3 1 noname -0.0183 45 H1 -1.1862 -2.3367 15.9472 H 1 noname 0.2261 46 H2 2.7526 -1.6774 16.2080 H 1 noname 0.2260 47 H3 0.5041 -2.5194 18.0375 H 1 noname 0.2260 48 H4 -1.0266 -0.3863 14.3678 H 1 noname 0.2283 49 H5 -2.4690 -0.4574 11.3511 H 1 noname 0.0605 50 H6 -0.9992 -0.3128 10.1751 H 1 noname 0.0605 51 H7 -3.1781 -2.4375 10.1039 H 1 noname 0.0657 52 H8 -2.9839 0.3017 8.8427 H 1 noname 0.0657 53 H9 -3.1032 -3.3936 7.7516 H 1 noname 0.0853 54 H10 -4.8075 -0.8345 9.8365 H 1 noname 0.2106 55 H11 -2.2854 -0.6158 6.6432 H 1 noname 0.0674 56 H12 -4.8362 -1.5071 7.1409 H 1 noname 0.2107 57 H13 -2.6193 -5.0339 6.2322 H 1 noname 0.1016 58 H14 1.4691 -4.5914 2.9326 H 1 noname 0.1297 59 H15 0.4874 1.5133 6.8064 H 1 noname 0.0388 60 H16 1.3843 0.6883 8.2483 H 1 noname 0.0388 61 H17 3.7903 -3.8210 4.2932 H 1 noname 0.0441 62 H18 2.9549 -5.2422 5.2133 H 1 noname 0.0441 63 H19 3.1010 2.2057 8.0487 H 1 noname 0.0367 64 H20 2.2041 3.0307 6.6067 H 1 noname 0.0367 65 H21 3.1037 -6.5590 3.3146 H 1 noname 0.0393 66 H22 3.9391 -5.1378 2.3944 H 1 noname 0.0393 67 H23 6.6271 -8.2184 3.3477 H 1 noname 0.0343 68 H24 5.3512 -7.8568 2.1605 H 1 noname 0.0343 69 H25 6.8603 -6.9129 2.1605 H 1 noname 0.0343 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 4 6 2 6 4 7 1 7 4 8 1 8 5 9 2 9 5 10 1 10 5 11 1 11 7 12 1 12 12 13 2 13 12 14 1 14 12 15 1 15 14 16 1 16 17 16 1 17 17 18 1 18 17 19 1 19 18 20 1 20 19 21 1 21 19 22 1 22 20 23 1 23 20 22 1 24 22 24 1 25 23 25 1 26 23 26 1 27 25 27 2 28 25 28 1 29 26 29 2 30 27 30 1 31 28 31 2 32 28 29 1 33 30 32 1 34 30 33 2 35 31 34 1 36 31 33 1 37 32 35 1 38 34 36 1 39 35 37 1 40 36 38 1 41 37 39 1 42 38 40 1 43 39 41 1 44 39 42 1 45 39 43 1 46 40 44 1 47 8 45 1 48 10 46 1 49 11 47 1 50 15 48 1 51 16 49 1 52 16 50 1 53 17 51 1 54 19 52 1 55 20 53 1 56 21 54 1 57 22 55 1 58 24 56 1 59 26 57 1 60 34 58 1 61 35 59 1 62 35 60 1 63 36 61 1 64 36 62 1 65 37 63 1 66 37 64 1 67 38 65 1 68 38 66 1 69 44 67 1 70 44 68 1 71 44 69 1 @SUBSTRUCTURE 1 noname 1