@MOLECULE 116099 57 61 1 SMALL USER_CHARGES @ATOM 1 F1 1.1970 -4.3669 5.8185 F 1 noname -0.1567 2 C1 0.3964 -3.3480 5.9338 C.2 1 noname 0.0677 3 C2 0.8346 -2.0067 5.7347 C.2 1 noname 0.0466 4 C3 -0.9753 -3.4932 6.2667 C.2 1 noname 0.0321 5 C4 2.2168 -1.9134 5.2504 C.2 1 noname 0.0338 6 C5 -0.0024 -0.8528 5.9085 C.2 1 noname 0.0038 7 C6 -1.8834 -2.3682 6.4069 C.2 1 noname 0.0000 8 O1 2.8603 -2.9653 5.0460 O.2 1 noname -0.2909 9 N1 2.8711 -0.6108 4.9971 N.3 1 noname -0.0588 10 C7 -1.3614 -1.0482 6.2366 C.2 1 noname -0.0216 11 C8 -3.2927 -2.5131 6.7320 C.2 1 noname 0.0476 12 C9 4.2180 -0.4728 5.5853 C.3 1 noname 0.0625 13 C10 2.2976 0.5600 4.2500 C.3 1 noname 0.0228 14 N2 -4.0743 -1.3625 6.8032 N.2 1 noname -0.2222 15 C11 -3.9534 -3.7598 7.0009 C.2 1 noname 0.0406 16 C12 4.0892 0.6841 6.4887 C.2 1 noname -0.0341 17 C13 2.2227 1.7865 5.2225 C.3 1 noname 0.0306 18 C14 -5.3991 -1.3690 7.1159 C.2 1 noname 0.0454 19 C15 -3.3905 -4.9301 6.9793 C.1 1 noname -0.0101 20 C16 -5.3250 -3.7461 7.3240 C.2 1 noname 0.0370 21 N3 4.7705 0.8606 7.6231 N.2 1 noname -0.2327 22 N4 3.1862 1.6779 6.3026 N.3 1 noname -0.0367 23 N5 -5.9955 -2.5643 7.3718 N.2 1 noname -0.2309 24 C17 -2.7322 -5.9231 6.9212 C.1 1 noname -0.0269 25 C18 -6.0236 -4.9965 7.6066 C.3 1 noname 0.0467 26 C19 4.2974 1.9900 8.1728 C.2 1 noname 0.0111 27 C20 3.2993 2.5121 7.3464 C.2 1 noname -0.0688 28 C21 -1.9898 -6.9977 6.8542 C.2 1 noname -0.0258 29 C22 -7.1654 -5.1805 6.6049 C.3 1 noname -0.0597 30 C23 -0.7447 -7.0769 7.5497 C.2 1 noname 0.0129 31 C24 -2.4891 -8.1094 6.1109 C.2 1 noname -0.0243 32 N6 -0.0836 -8.2818 7.4535 N.2 1 noname -0.2633 33 C25 -1.7797 -9.3349 6.0361 C.2 1 noname -0.0315 34 C26 -0.5418 -9.3803 6.7454 C.2 1 noname 0.0173 35 N7 0.1885 -10.5036 6.7257 N.3 1 noname -0.1209 36 H1 -1.3453 -4.5068 6.4204 H 1 noname 0.0660 37 H2 0.3886 0.1581 5.7930 H 1 noname 0.0631 38 H3 -2.0082 -0.1793 6.3584 H 1 noname 0.0629 39 H4 4.4114 -1.3553 6.1952 H 1 noname 0.0516 40 H5 4.9080 -0.2002 4.7868 H 1 noname 0.0516 41 H6 3.0153 0.8026 3.4663 H 1 noname 0.0452 42 H7 1.2766 0.2834 3.9873 H 1 noname 0.0452 43 H8 2.5282 2.6709 4.6634 H 1 noname 0.0486 44 H9 1.2494 1.7609 5.7126 H 1 noname 0.0486 45 H10 -5.9680 -0.4403 7.1602 H 1 noname 0.1061 46 H11 -5.2991 -5.7914 7.4294 H 1 noname 0.0329 47 H12 -6.4685 -4.8748 8.5942 H 1 noname 0.0329 48 H13 4.6567 2.4054 9.1143 H 1 noname 0.0853 49 H14 2.7089 3.4168 7.4914 H 1 noname 0.0808 50 H15 -8.1008 -5.3311 7.1438 H 1 noname 0.0234 51 H16 -7.2459 -4.2920 5.9786 H 1 noname 0.0234 52 H17 -6.9629 -6.0493 5.9786 H 1 noname 0.0234 53 H18 -0.3190 -6.2562 8.1270 H 1 noname 0.0853 54 H19 -3.4397 -8.0198 5.5852 H 1 noname 0.0637 55 H20 -2.1606 -10.1856 5.4709 H 1 noname 0.0656 56 H21 -0.2695 -11.4037 6.7183 H 1 noname 0.1257 57 H22 1.1971 -10.4501 6.7183 H 1 noname 0.1257 @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 2 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 9 12 1 13 9 13 1 14 11 14 2 15 11 15 1 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 15 20 2 21 16 21 2 22 16 22 1 23 17 22 1 24 18 23 2 25 19 24 3 26 20 25 1 27 20 23 1 28 21 26 1 29 22 27 1 30 24 28 1 31 25 29 1 32 26 27 2 33 28 30 2 34 28 31 1 35 30 32 1 36 31 33 2 37 32 34 2 38 33 34 1 39 34 35 1 40 4 36 1 41 6 37 1 42 10 38 1 43 12 39 1 44 12 40 1 45 13 41 1 46 13 42 1 47 17 43 1 48 17 44 1 49 18 45 1 50 25 46 1 51 25 47 1 52 26 48 1 53 27 49 1 54 29 50 1 55 29 51 1 56 29 52 1 57 30 53 1 58 31 54 1 59 33 55 1 60 35 56 1 61 35 57 1 @SUBSTRUCTURE 1 noname 1