@MOLECULE 227501 61 66 1 SMALL USER_CHARGES @ATOM 1 F1 10.2803 -0.7281 -0.0291 F 1 noname -0.1708 2 C1 8.9276 -0.9016 0.1114 C.3 1 noname 0.3916 3 F2 8.2837 0.2741 -0.1763 F 1 noname -0.1708 4 F3 8.6460 -1.2733 1.4006 F 1 noname -0.1708 5 C2 8.4509 -1.9926 -0.8496 C.3 1 noname 0.0573 6 C3 8.7731 -1.5674 -2.3244 C.3 1 noname -0.0284 7 C4 6.9945 -2.4148 -0.4765 C.3 1 noname -0.0284 8 C5 7.6331 -1.7719 -3.3774 C.3 1 noname 0.0066 9 C6 6.1546 -2.8699 -1.7043 C.3 1 noname 0.0066 10 N1 6.3228 -1.9223 -2.7948 N.3 1 noname -0.0598 11 C7 5.2835 -1.1338 -3.1877 C.2 1 noname 0.0822 12 N2 4.5541 -0.5928 -2.1864 N.2 1 noname -0.2688 13 N3 4.9137 -0.8683 -4.4773 N.2 1 noname -0.2607 14 C8 3.4774 0.1931 -2.3555 C.2 1 noname 0.0705 15 C9 3.8379 -0.0620 -4.6961 C.2 1 noname 0.1125 16 N4 2.9203 0.6419 -1.2207 N.3 1 noname -0.0774 17 C10 3.1069 0.4899 -3.6572 C.2 1 noname -0.0245 18 N5 3.2767 0.3453 -5.8348 N.3 1 noname 0.0229 19 C11 3.3680 1.8967 -0.5913 C.3 1 noname 0.0366 20 C12 2.1054 -0.3781 -0.5768 C.3 1 noname 0.0285 21 N6 2.1442 1.2659 -4.1205 N.2 1 noname -0.2207 22 C13 2.2507 1.1553 -5.4664 C.2 1 noname -0.0265 23 C14 3.1970 1.8142 0.9487 C.3 1 noname 0.0625 24 C15 4.8441 2.3647 -0.7641 C.3 1 noname -0.0469 25 C16 2.8784 -0.7276 0.7236 C.3 1 noname 0.0599 26 C17 1.3742 1.8196 -6.3649 C.2 1 noname -0.0038 27 O1 3.3303 0.4486 1.4722 O.3 1 noname -0.3783 28 C18 0.3079 2.6705 -5.9110 C.2 1 noname -0.0145 29 C19 1.5325 1.6604 -7.7815 C.2 1 noname -0.0250 30 C20 -0.5385 3.3148 -6.8364 C.2 1 noname -0.0814 31 C21 -0.1391 3.0544 -4.6389 C.2 1 noname -0.0316 32 C22 0.6789 2.3106 -8.7086 C.2 1 noname -0.0407 33 N7 -1.4431 4.0437 -6.1630 N.3 1 noname -0.0765 34 C23 -0.3673 3.1458 -8.2390 C.2 1 noname -0.0372 35 C24 -1.2272 3.9064 -4.8368 C.2 1 noname -0.1104 36 H1 9.0091 -2.9212 -0.7302 H 1 noname 0.0396 37 H2 8.9347 -0.4902 -2.2839 H 1 noname 0.0286 38 H3 9.5791 -2.2278 -2.6440 H 1 noname 0.0286 39 H4 7.0897 -3.2929 0.1623 H 1 noname 0.0286 40 H5 6.5077 -1.5159 -0.0984 H 1 noname 0.0286 41 H6 7.5626 -0.8555 -3.9634 H 1 noname 0.0435 42 H7 7.8163 -2.7242 -3.8751 H 1 noname 0.0435 43 H8 6.5734 -3.8088 -2.0664 H 1 noname 0.0435 44 H9 5.1015 -2.8134 -1.4284 H 1 noname 0.0435 45 H10 3.5650 0.0955 -6.7699 H 1 noname 0.1559 46 H11 2.7128 2.5608 -1.1549 H 1 noname 0.0492 47 H12 1.1612 0.0954 -0.3080 H 1 noname 0.0459 48 H13 2.1114 -1.2480 -1.2337 H 1 noname 0.0459 49 H14 4.0255 2.3670 1.3915 H 1 noname 0.0582 50 H15 2.1694 2.1015 1.1712 H 1 noname 0.0582 51 H16 5.2970 2.5083 0.2169 H 1 noname 0.0247 52 H17 5.4030 1.6083 -1.3151 H 1 noname 0.0247 53 H18 4.8650 3.3050 -1.3151 H 1 noname 0.0247 54 H19 2.1732 -1.2262 1.3886 H 1 noname 0.0580 55 H20 3.7951 -1.2344 0.4224 H 1 noname 0.0580 56 H21 2.3288 1.0235 -8.1667 H 1 noname 0.0630 57 H22 0.2792 2.7491 -3.6798 H 1 noname 0.0643 58 H23 0.8264 2.1688 -9.7793 H 1 noname 0.0623 59 H24 -2.1688 4.6047 -6.5858 H 1 noname 0.1522 60 H25 -1.0287 3.6492 -8.9441 H 1 noname 0.0642 61 H26 -1.8232 4.3947 -4.0658 H 1 noname 0.0789 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 5 7 1 7 6 8 1 8 7 9 1 9 8 10 1 10 9 10 1 11 10 11 1 12 11 12 2 13 11 13 1 14 12 14 1 15 13 15 2 16 14 16 1 17 14 17 2 18 15 18 1 19 15 17 1 20 19 16 1 21 16 20 1 22 17 21 1 23 18 22 1 24 19 23 1 25 19 24 1 26 20 25 1 27 21 22 2 28 22 26 1 29 23 27 1 30 25 27 1 31 26 28 2 32 26 29 1 33 28 30 1 34 28 31 1 35 29 32 2 36 30 33 1 37 30 34 2 38 31 35 2 39 32 34 1 40 33 35 1 41 5 36 1 42 6 37 1 43 6 38 1 44 7 39 1 45 7 40 1 46 8 41 1 47 8 42 1 48 9 43 1 49 9 44 1 50 18 45 1 51 19 46 1 52 20 47 1 53 20 48 1 54 23 49 1 55 23 50 1 56 24 51 1 57 24 52 1 58 24 53 1 59 25 54 1 60 25 55 1 61 29 56 1 62 31 57 1 63 32 58 1 64 33 59 1 65 34 60 1 66 35 61 1 @SUBSTRUCTURE 1 noname 1