REMARK Name = BDB014741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.109 0.994 0.658 0.00 0.00 -0.296 N ATOM 2 H LIG 1 -0.141 1.861 1.188 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 -6.043 4.503 1.077 0.00 0.00 +0.109 C ATOM 4 C LIG 1 -4.599 4.095 1.222 0.00 0.00 +0.213 C ATOM 5 N LIG 1 -4.252 2.813 0.812 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -2.850 2.422 1.056 0.00 0.00 +0.148 C ATOM 7 C LIG 1 -2.496 1.207 0.275 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -1.254 0.545 0.092 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -1.410 -0.532 -0.684 0.00 0.00 -0.155 NA ATOM 10 N LIG 1 -2.713 -0.554 -1.018 0.00 0.00 -0.261 N ATOM 11 C LIG 1 -3.409 0.462 -0.438 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -4.854 0.772 -0.541 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -5.237 1.728 0.610 0.00 0.00 +0.114 C ATOM 14 O LIG 1 -3.776 4.888 1.679 0.00 0.00 -0.276 OA BRANCH 10 15 ATOM 15 C LIG 1 -3.232 -1.590 -1.897 0.00 0.00 +0.135 C ATOM 16 C LIG 1 -3.526 -2.882 -1.140 0.00 0.00 +0.186 C ATOM 17 O LIG 1 -2.652 -3.906 -1.646 0.00 0.00 -0.378 OA ATOM 18 C LIG 1 -1.624 -3.257 -2.403 0.00 0.00 +0.162 C ATOM 19 C LIG 1 -2.278 -2.029 -2.995 0.00 0.00 +0.057 C ENDBRANCH 10 15 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 1.216 0.498 0.626 0.00 0.00 +0.068 A ATOM 21 C LIG 1 2.217 1.222 1.296 0.00 0.00 +0.145 A ATOM 22 F LIG 1 1.883 2.354 1.938 0.00 0.00 -0.204 F ATOM 23 C LIG 1 3.548 0.810 1.320 0.00 0.00 +0.049 A ATOM 24 C LIG 1 3.919 -0.362 0.660 0.00 0.00 -0.012 A ATOM 25 C LIG 1 2.939 -1.104 -0.008 0.00 0.00 +0.010 A ATOM 26 C LIG 1 1.603 -0.675 -0.023 0.00 0.00 +0.027 A BRANCH 24 27 ATOM 27 C LIG 1 5.298 -0.806 0.672 0.00 0.00 +0.032 A ATOM 28 C LIG 1 6.184 -1.164 -0.390 0.00 0.00 +0.173 A ATOM 29 N LIG 1 7.387 -1.538 0.100 0.00 0.00 -0.167 NA ATOM 30 N LIG 1 7.263 -1.409 1.431 0.00 0.00 -0.273 N ATOM 31 C LIG 1 8.383 -1.733 2.281 0.00 0.00 +0.172 C ATOM 32 C LIG 1 6.037 -0.969 1.825 0.00 0.00 +0.117 A BRANCH 28 33 ATOM 33 C LIG 1 5.881 -1.139 -1.864 0.00 0.00 +0.437 C ATOM 34 F LIG 1 6.987 -1.256 -2.648 0.00 0.00 -0.164 F ATOM 35 F LIG 1 5.044 -2.151 -2.225 0.00 0.00 -0.164 F ATOM 36 F LIG 1 5.270 0.019 -2.240 0.00 0.00 -0.164 F ENDBRANCH 28 33 ENDBRANCH 24 27 ENDBRANCH 1 20 TORSDOF 5