REMARK Name = BDB036145 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.559 1.185 -2.731 0.00 0.00 +0.280 A ATOM 2 C LIG 1 -2.853 1.782 -1.681 0.00 0.00 +0.187 A ATOM 3 N LIG 1 -3.261 2.965 -1.163 0.00 0.00 -0.214 NA ATOM 4 C LIG 1 -4.331 3.521 -1.751 0.00 0.00 +0.247 A ATOM 5 N LIG 1 -5.005 3.011 -2.796 0.00 0.00 -0.134 NA ATOM 6 N LIG 1 -4.603 1.822 -3.304 0.00 0.00 -0.106 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.684 1.188 -1.138 0.00 0.00 -0.310 N ATOM 8 C LIG 1 -0.435 1.199 -1.869 0.00 0.00 +0.115 C ATOM 9 C LIG 1 0.272 1.056 -0.499 0.00 0.00 +0.004 C ATOM 10 C LIG 1 1.530 1.908 -0.329 0.00 0.00 +0.025 C ATOM 11 C LIG 1 2.707 1.227 -1.031 0.00 0.00 +0.085 C ATOM 12 N LIG 1 2.953 -0.150 -0.578 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 1.735 -0.967 -0.719 0.00 0.00 +0.085 C ATOM 14 C LIG 1 0.512 -0.379 -0.012 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -1.022 1.701 0.043 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 3.526 -0.254 0.773 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 4.949 0.335 0.919 0.00 0.00 +0.003 C ATOM 18 C LIG 1 5.449 0.138 2.360 0.00 0.00 +0.005 C ATOM 19 C LIG 1 6.854 0.705 2.551 0.00 0.00 +0.011 C ATOM 20 C LIG 1 7.873 0.097 1.576 0.00 0.00 +0.015 C ATOM 21 C LIG 1 8.226 -1.353 1.904 0.00 0.00 +0.130 C ATOM 22 C LIG 1 9.648 -1.460 1.434 0.00 0.00 +0.308 C ATOM 23 O LIG 1 10.252 -2.500 1.234 0.00 0.00 -0.251 OA ATOM 24 O LIG 1 10.190 -0.215 1.291 0.00 0.00 -0.464 OA ATOM 25 C LIG 1 9.240 0.758 1.727 0.00 0.00 +0.239 C ATOM 26 C LIG 1 7.362 0.243 0.123 0.00 0.00 +0.011 C ATOM 27 C LIG 1 5.940 -0.288 -0.077 0.00 0.00 +0.005 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 28 ATOM 28 O LIG 1 -3.200 0.007 -3.340 0.00 0.00 -0.434 OA BRANCH 28 30 ATOM 29 C LIG 1 -4.098 -1.605 -1.678 0.00 0.00 +0.082 A ATOM 30 C LIG 1 -3.126 -1.138 -2.577 0.00 0.00 +0.143 A ATOM 31 C LIG 1 -2.001 -1.936 -2.841 0.00 0.00 +0.050 A ATOM 32 C LIG 1 -1.822 -3.156 -2.188 0.00 0.00 +0.042 A ATOM 33 C LIG 1 -2.792 -3.602 -1.303 0.00 0.00 +0.124 A ATOM 34 F LIG 1 -2.637 -4.785 -0.696 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -3.936 -2.855 -1.060 0.00 0.00 +0.055 A BRANCH 29 37 ATOM 36 N LIG 1 -5.770 -0.385 -0.250 0.00 0.00 -0.292 N ATOM 37 C LIG 1 -5.402 -0.940 -1.501 0.00 0.00 +0.251 C ATOM 38 O LIG 1 -6.141 -0.967 -2.483 0.00 0.00 -0.270 OA BRANCH 36 40 ATOM 39 C LIG 1 -7.548 1.142 0.806 0.00 0.00 +0.028 C ATOM 40 C LIG 1 -7.199 0.024 -0.172 0.00 0.00 +0.070 C ATOM 41 C LIG 1 -8.116 -1.185 0.057 0.00 0.00 +0.028 C ENDBRANCH 36 40 BRANCH 36 42 ATOM 42 C LIG 1 -4.887 -0.442 0.950 0.00 0.00 +0.070 C ATOM 43 C LIG 1 -4.586 0.914 1.590 0.00 0.00 +0.028 C ATOM 44 C LIG 1 -5.368 -1.442 2.002 0.00 0.00 +0.028 C ENDBRANCH 36 42 ENDBRANCH 29 37 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 8