@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446603 81 86 1 SMALL USER_CHARGES @ATOM 1 F1 10.6527 -21.7408 5.4485 F 1 noname -0.1530 2 C1 11.4186 -21.8337 4.3966 C.2 1 noname 0.0669 3 C2 11.3186 -22.9466 3.5377 C.2 1 noname 0.0544 4 C3 12.3435 -20.8087 4.1337 C.2 1 noname 0.0409 5 O1 10.3816 -23.9045 3.8388 O.3 1 noname -0.1899 6 C4 12.1585 -23.0046 2.4038 C.2 1 noname 0.0039 7 C5 13.1834 -20.8667 3.0058 C.2 1 noname 0.0057 8 C6 10.3745 -25.1585 3.2958 C.2 1 noname 0.0164 9 C7 13.0814 -21.9786 2.1419 C.2 1 noname -0.0130 10 N1 14.0173 -19.8507 2.8349 N.2 1 noname -0.2315 11 C8 9.4205 -25.5154 2.3199 C.2 1 noname 0.0038 12 C9 11.3214 -26.1044 3.7329 C.2 1 noname -0.0059 13 C10 14.8943 -19.6256 1.8829 C.2 1 noname 0.0597 14 C11 9.4595 -26.8303 1.7890 C.2 1 noname 0.0407 15 C12 8.4465 -24.6114 1.8490 C.2 1 noname 0.0234 16 C13 11.3114 -27.3913 3.1770 C.2 1 noname -0.0051 17 C14 15.7102 -18.4707 1.8610 C.2 1 noname 0.0908 18 N2 10.3924 -27.7092 2.2320 N.2 1 noname -0.2634 19 C15 8.5335 -27.2232 0.8081 C.2 1 noname 0.0346 20 C16 7.5275 -25.0023 0.8601 C.2 1 noname 0.0426 21 C17 16.6421 -18.2776 0.8261 C.2 1 noname 0.0475 22 C18 15.6522 -17.4547 2.8520 C.2 1 noname 0.0881 23 C19 7.5595 -26.3192 0.3492 C.2 1 noname 0.0550 24 O2 6.6195 -24.0874 0.4262 O.3 1 noname -0.2657 25 O3 16.7450 -19.2235 -0.1467 O.3 1 noname -0.2625 26 N3 17.4440 -17.1537 0.7801 N.3 1 noname -0.0882 27 O4 14.8671 -17.5016 3.8250 O.2 1 noname -0.2815 28 N4 16.4631 -16.3747 2.7830 N.3 1 noname 0.0972 29 O5 6.6824 -26.7502 -0.5966 O.3 1 noname -0.2611 30 C20 6.7175 -23.6124 -0.9176 C.3 1 noname 0.0424 31 C21 17.3519 -16.2127 1.7791 C.2 1 noname 0.0974 32 C22 18.3599 -16.9966 -0.2227 C.2 1 noname 0.0186 33 C23 5.2875 -26.7951 -0.2826 C.3 1 noname 0.0547 34 O6 18.0668 -15.1847 1.8071 O.2 1 noname -0.2613 35 C24 18.0508 -16.3346 -1.4446 C.2 1 noname 0.0234 36 C25 19.6488 -17.5275 -0.0116 C.2 1 noname -0.0173 37 C26 4.5085 -27.3291 -1.4925 C.3 1 noname -0.0162 38 C27 19.0697 -16.2306 -2.4215 C.2 1 noname -0.0168 39 C28 16.6939 -15.7666 -1.7025 C.3 1 noname 0.4176 40 C29 20.6407 -17.4135 -0.9956 C.2 1 noname -0.0490 41 C30 4.6415 -26.4021 -2.7124 C.3 1 noname 0.0004 42 C31 20.3496 -16.7635 -2.2025 C.2 1 noname -0.0460 43 F2 16.5588 -15.1486 -2.9244 F 1 noname -0.1660 44 F3 15.7439 -16.7575 -1.6715 F 1 noname -0.1660 45 F4 16.3738 -14.8186 -0.7615 F 1 noname -0.1660 46 N5 4.2004 -25.0271 -2.4073 N.3 1 noname -0.3031 47 C32 2.7645 -24.9351 -2.1103 C.3 1 noname -0.0017 48 C33 4.3744 -24.1401 -3.5643 C.3 1 noname -0.0017 49 C34 2.4234 -23.4541 -2.3013 C.3 1 noname -0.0392 50 C35 3.5114 -22.9191 -3.2382 C.3 1 noname -0.0392 51 H1 12.4045 -20.0097 4.7677 H 1 noname 0.0677 52 H2 12.0985 -23.7925 1.7589 H 1 noname 0.0652 53 H3 13.6743 -22.0505 1.3150 H 1 noname 0.0646 54 H4 12.0083 -25.8563 4.4439 H 1 noname 0.0666 55 H5 14.9952 -20.3076 1.1290 H 1 noname 0.0849 56 H6 8.4085 -23.6584 2.2160 H 1 noname 0.0659 57 H7 11.9933 -28.0872 3.4810 H 1 noname 0.0840 58 H8 8.5624 -28.1701 0.4302 H 1 noname 0.0674 59 H9 17.4049 -19.0315 -0.8446 H 1 noname 0.2193 60 H10 16.4060 -15.6997 3.4760 H 1 noname 0.1418 61 H11 6.6574 -24.4373 -1.6276 H 1 noname 0.0535 62 H12 7.6604 -23.0823 -1.0586 H 1 noname 0.0535 63 H13 5.8935 -22.9243 -1.1076 H 1 noname 0.0535 64 H14 4.9115 -25.8041 -0.0256 H 1 noname 0.0572 65 H15 5.1224 -27.4661 0.5623 H 1 noname 0.0572 66 H16 19.8677 -18.0015 0.8663 H 1 noname 0.0639 67 H17 3.4565 -27.4260 -1.2245 H 1 noname 0.0303 68 H18 4.8934 -28.3150 -1.7544 H 1 noname 0.0303 69 H19 18.8857 -15.7626 -3.3094 H 1 noname 0.0629 70 H20 21.5696 -17.8004 -0.8335 H 1 noname 0.0623 71 H21 4.0514 -26.8120 -3.5333 H 1 noname 0.0431 72 H22 5.6894 -26.3780 -3.0143 H 1 noname 0.0431 73 H23 21.0685 -16.6774 -2.9224 H 1 noname 0.0622 74 H24 2.5535 -25.2510 -1.0873 H 1 noname 0.0430 75 H25 2.1855 -25.5360 -2.8142 H 1 noname 0.0430 76 H26 5.4203 -23.8570 -3.6902 H 1 noname 0.0430 77 H27 4.0034 -24.6140 -4.4752 H 1 noname 0.0430 78 H28 1.4324 -23.3420 -2.7432 H 1 noname 0.0280 79 H29 2.4684 -22.9331 -1.3432 H 1 noname 0.0280 80 H30 3.0784 -22.4960 -4.1451 H 1 noname 0.0280 81 H31 4.1083 -22.1670 -2.7212 H 1 noname 0.0280 @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 4 51 1 8 5 8 1 9 6 9 2 10 6 52 1 11 7 10 1 12 7 9 1 13 8 11 1 14 8 12 2 15 9 53 1 16 10 13 2 17 11 14 1 18 11 15 2 19 12 16 1 20 12 54 1 21 13 17 1 22 13 55 1 23 14 18 1 24 14 19 2 25 15 20 1 26 15 56 1 27 16 18 2 28 16 57 1 29 17 21 2 30 17 22 1 31 19 23 1 32 19 58 1 33 20 24 1 34 20 23 2 35 21 25 1 36 21 26 1 37 22 27 2 38 22 28 1 39 23 29 1 40 24 30 1 41 25 59 1 42 26 31 1 43 26 32 1 44 28 31 1 45 28 60 1 46 29 33 1 47 30 61 1 48 30 62 1 49 30 63 1 50 31 34 2 51 32 35 2 52 32 36 1 53 33 37 1 54 33 64 1 55 33 65 1 56 35 38 1 57 35 39 1 58 36 40 2 59 36 66 1 60 37 41 1 61 37 67 1 62 37 68 1 63 38 42 2 64 38 69 1 65 39 43 1 66 39 44 1 67 39 45 1 68 40 42 1 69 40 70 1 70 41 46 1 71 41 71 1 72 41 72 1 73 42 73 1 74 46 47 1 75 46 48 1 76 47 49 1 77 47 74 1 78 47 75 1 79 48 50 1 80 48 76 1 81 48 77 1 82 49 50 1 83 49 78 1 84 49 79 1 85 50 80 1 86 50 81 1 @SUBSTRUCTURE 1 noname 1