@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447872 54 58 1 SMALL USER_CHARGES @ATOM 1 F1 20.3085 -22.1532 -0.9522 F 1 noname -0.1287 2 C1 21.4936 -21.7032 -0.6552 C.2 1 noname 0.0768 3 N1 22.5905 -22.4412 -0.9562 N.2 1 noname -0.2408 4 C2 21.6445 -20.4581 -0.0231 C.2 1 noname 0.0160 5 C3 23.8505 -22.0291 -0.6721 C.2 1 noname 0.0067 6 C4 22.9355 -19.9960 0.2878 C.2 1 noname 0.0003 7 C5 24.0525 -20.7920 -0.0410 C.2 1 noname -0.0390 8 N2 23.0425 -18.7909 0.8979 N.3 1 noname -0.1383 9 C6 24.2675 -18.1839 1.2869 C.3 1 noname 0.0241 10 C7 23.9804 -16.8378 1.9620 C.3 1 noname 0.0662 11 O1 23.3384 -15.9627 1.0300 O.3 1 noname -0.2780 12 C8 22.9593 -14.6927 1.3591 C.2 1 noname -0.0241 13 C9 22.4173 -13.8976 0.3331 C.2 1 noname -0.0311 14 C10 23.0823 -14.1496 2.6551 C.2 1 noname -0.0311 15 C11 22.0012 -12.5805 0.5921 C.2 1 noname -0.0479 16 C12 22.6632 -12.8345 2.9182 C.2 1 noname -0.0479 17 C13 22.1082 -12.0485 1.8922 C.2 1 noname -0.0419 18 N3 21.7411 -10.7744 2.1673 N.3 1 noname -0.0104 19 C14 20.4741 -10.2803 2.1713 C.2 1 noname 0.0214 20 C15 19.2920 -10.9423 1.8084 C.2 1 noname 0.0667 21 C16 20.1240 -8.9552 2.4544 C.2 1 noname 0.0619 22 O2 19.1620 -12.1443 1.4924 O.2 1 noname -0.2824 23 N4 18.2889 -10.0652 1.8054 N.3 1 noname 0.0817 24 C17 18.7530 -8.8662 2.1634 C.2 1 noname 0.0739 25 C18 20.9380 -7.8811 2.9165 C.2 1 noname -0.0147 26 O3 18.0219 -7.8571 2.2685 O.2 1 noname -0.2850 27 C19 22.1510 -7.8801 3.6225 C.2 1 noname -0.0236 28 C20 20.6350 -6.5251 2.7375 C.2 1 noname -0.0808 29 C21 22.5430 -6.5470 3.7756 C.2 1 noname -0.0830 30 C22 22.9200 -8.8981 4.2226 C.2 1 noname -0.0371 31 N5 21.6149 -5.7550 3.2335 N.3 1 noname -0.0528 32 C23 23.7260 -6.1890 4.4416 C.2 1 noname -0.0434 33 C24 24.1110 -8.5590 4.8936 C.2 1 noname -0.0536 34 C25 24.5180 -7.2130 4.9937 C.2 1 noname -0.0511 35 H1 20.8235 -19.8960 0.2068 H 1 noname 0.0687 36 H2 24.6475 -22.6171 -0.9171 H 1 noname 0.0840 37 H3 24.9994 -20.4800 0.1729 H 1 noname 0.0655 38 H4 22.2244 -18.3009 1.0809 H 1 noname 0.1282 39 H5 24.8964 -18.0159 0.4110 H 1 noname 0.0456 40 H6 24.7925 -18.8269 1.9940 H 1 noname 0.0456 41 H7 24.9244 -16.4008 2.2921 H 1 noname 0.0585 42 H8 23.3374 -17.0058 2.8280 H 1 noname 0.0585 43 H9 22.3272 -14.2786 -0.6098 H 1 noname 0.0650 44 H10 23.4763 -14.7066 3.4122 H 1 noname 0.0650 45 H11 21.6152 -12.0135 -0.1628 H 1 noname 0.0640 46 H12 22.7602 -12.4524 3.8602 H 1 noname 0.0640 47 H13 22.4541 -10.1603 2.3913 H 1 noname 0.1343 48 H14 17.3699 -10.2662 1.5754 H 1 noname 0.1407 49 H15 19.8089 -6.1610 2.2615 H 1 noname 0.0795 50 H16 22.6169 -9.8690 4.2086 H 1 noname 0.0629 51 H17 21.6379 -4.7850 3.2146 H 1 noname 0.1522 52 H18 23.9980 -5.2099 4.5347 H 1 noname 0.0642 53 H19 24.6769 -9.2920 5.3227 H 1 noname 0.0622 54 H20 25.3810 -6.9779 5.4847 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 4 35 1 7 5 7 2 8 5 36 1 9 6 8 1 10 6 7 1 11 7 37 1 12 8 9 1 13 8 38 1 14 9 10 1 15 9 39 1 16 9 40 1 17 10 11 1 18 10 41 1 19 10 42 1 20 11 12 1 21 12 13 2 22 12 14 1 23 13 15 1 24 13 43 1 25 14 16 2 26 14 44 1 27 15 17 2 28 15 45 1 29 16 17 1 30 16 46 1 31 17 18 1 32 18 19 1 33 18 47 1 34 19 20 1 35 19 21 2 36 20 22 2 37 20 23 1 38 21 24 1 39 21 25 1 40 23 24 1 41 23 48 1 42 24 26 2 43 25 27 1 44 25 28 2 45 27 29 2 46 27 30 1 47 28 31 1 48 28 49 1 49 29 32 1 50 29 31 1 51 30 33 2 52 30 50 1 53 31 51 1 54 32 34 2 55 32 52 1 56 33 34 1 57 33 53 1 58 34 54 1 @SUBSTRUCTURE 1 noname 1