@MOLECULE 116061 61 64 1 SMALL USER_CHARGES @ATOM 1 F1 3.0827 -1.0833 2.8388 F 1 noname -0.1548 2 C1 1.8302 -0.7804 3.0183 C.2 1 noname 0.0796 3 C2 1.3713 -0.2174 4.2479 C.2 1 noname 0.0913 4 C3 0.8632 -0.9970 1.9974 C.2 1 noname 0.0265 5 C4 0.0100 0.1110 4.5222 C.2 1 noname 0.0796 6 C5 2.3462 0.1664 5.2842 C.2 1 noname 0.0481 7 C6 -0.5202 -0.6678 2.2103 C.2 1 noname 0.0121 8 F2 -0.3504 0.5929 5.6756 F 1 noname -0.1548 9 C7 -0.9355 -0.1093 3.4861 C.2 1 noname 0.0265 10 O1 2.6037 -0.5923 6.2436 O.2 1 noname -0.2877 11 N1 3.0147 1.4931 5.1469 N.3 1 noname -0.0604 12 C8 -1.5132 -0.8901 1.1779 C.2 1 noname 0.0478 13 C9 3.6810 1.8314 6.4371 C.3 1 noname 0.0189 14 C10 2.2819 2.6119 4.4301 C.3 1 noname 0.0189 15 N2 -2.6044 -0.0529 1.2430 N.2 1 noname -0.2213 16 C11 -1.4790 -1.8962 0.1428 C.2 1 noname 0.0415 17 C12 2.7902 2.6856 7.3985 C.3 1 noname 0.0113 18 C13 1.7943 3.7972 5.3112 C.3 1 noname 0.0113 19 C14 -3.6861 -0.1253 0.4163 C.2 1 noname 0.0456 20 C15 -0.5372 -2.7939 -0.1137 C.1 1 noname -0.0099 21 C16 -2.6092 -1.9546 -0.6958 C.2 1 noname 0.0371 22 N3 1.6496 3.4005 6.7378 N.3 1 noname -0.3037 23 N4 -3.6553 -1.0963 -0.5405 N.2 1 noname -0.2300 24 C17 0.3018 -3.6203 -0.3782 C.1 1 noname -0.0268 25 C18 -2.6604 -2.9579 -1.7552 C.3 1 noname 0.0467 26 C19 1.2808 4.5701 7.5338 C.3 1 noname -0.0132 27 C20 1.2383 -4.5248 -0.6558 C.2 1 noname -0.0250 28 C21 -3.8702 -3.8688 -1.5369 C.3 1 noname -0.0597 29 C22 2.5010 -4.4760 0.0143 C.2 1 noname 0.0133 30 C23 1.0112 -5.5633 -1.6201 C.2 1 noname -0.0239 31 N5 3.4361 -5.4404 -0.3098 N.2 1 noname -0.2618 32 C24 1.9917 -6.5486 -1.9387 C.2 1 noname -0.0301 33 C25 3.2250 -6.4426 -1.2366 C.2 1 noname 0.0185 34 N6 4.1987 -7.3307 -1.4789 N.3 1 noname -0.1129 35 C26 5.3436 -6.6560 -1.9503 C.3 1 noname -0.0101 36 H1 1.1848 -1.4182 1.0449 H 1 noname 0.0660 37 H2 -1.9782 0.1500 3.6699 H 1 noname 0.0660 38 H3 3.8450 0.8725 6.9288 H 1 noname 0.0449 39 H4 4.5315 2.4541 6.1596 H 1 noname 0.0449 40 H5 3.0194 3.0342 3.7475 H 1 noname 0.0449 41 H6 1.3793 2.1449 4.0362 H 1 noname 0.0449 42 H7 2.3171 1.9835 8.0851 H 1 noname 0.0443 43 H8 3.4286 3.4799 7.7854 H 1 noname 0.0443 44 H9 2.5811 4.5514 5.2974 H 1 noname 0.0443 45 H10 0.7887 4.0524 4.9768 H 1 noname 0.0443 46 H11 -4.5305 0.5568 0.5150 H 1 noname 0.1061 47 H12 -2.8257 -2.4075 -2.6815 H 1 noname 0.0329 48 H13 -1.7641 -3.5665 -1.6354 H 1 noname 0.0329 49 H14 1.3574 4.3271 8.5936 H 1 noname 0.0394 50 H15 1.9538 5.3951 7.3006 H 1 noname 0.0394 51 H16 0.2563 4.8599 7.3006 H 1 noname 0.0394 52 H17 -4.0403 -3.9969 -0.4679 H 1 noname 0.0234 53 H18 -4.7514 -3.4183 -1.9936 H 1 noname 0.0234 54 H19 -3.6806 -4.8402 -1.9936 H 1 noname 0.0234 55 H20 2.7461 -3.7179 0.7581 H 1 noname 0.0853 56 H21 0.0507 -5.6055 -2.1338 H 1 noname 0.0637 57 H22 1.8099 -7.3335 -2.6728 H 1 noname 0.0656 58 H23 4.0899 -8.3242 -1.3333 H 1 noname 0.1292 59 H24 5.9346 -6.3077 -1.1033 H 1 noname 0.0396 60 H25 5.9424 -7.3361 -2.5561 H 1 noname 0.0396 61 H26 5.0387 -5.8026 -2.5561 H 1 noname 0.0396 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 5 9 2 9 6 10 2 10 6 11 1 11 7 12 1 12 7 9 1 13 11 13 1 14 11 14 1 15 12 15 2 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 16 20 1 21 16 21 2 22 17 22 1 23 18 22 1 24 19 23 2 25 20 24 3 26 21 25 1 27 21 23 1 28 22 26 1 29 24 27 1 30 25 28 1 31 27 29 2 32 27 30 1 33 29 31 1 34 30 32 2 35 31 33 2 36 32 33 1 37 33 34 1 38 34 35 1 39 4 36 1 40 9 37 1 41 13 38 1 42 13 39 1 43 14 40 1 44 14 41 1 45 17 42 1 46 17 43 1 47 18 44 1 48 18 45 1 49 19 46 1 50 25 47 1 51 25 48 1 52 26 49 1 53 26 50 1 54 26 51 1 55 28 52 1 56 28 53 1 57 28 54 1 58 29 55 1 59 30 56 1 60 32 57 1 61 34 58 1 62 35 59 1 63 35 60 1 64 35 61 1 @SUBSTRUCTURE 1 noname 1