REMARK Name = BDB018790 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.090 0.917 2.781 0.00 0.00 +0.111 A ATOM 2 C LIG 1 2.791 1.682 3.890 0.00 0.00 +0.167 A ATOM 3 F LIG 1 3.699 2.031 4.809 0.00 0.00 -0.202 F ATOM 4 C LIG 1 1.491 2.103 4.006 0.00 0.00 +0.155 A ATOM 5 N LIG 1 0.528 1.808 3.110 0.00 0.00 -0.220 NA ATOM 6 C LIG 1 0.882 1.063 2.052 0.00 0.00 +0.221 A ATOM 7 N LIG 1 2.136 0.615 1.859 0.00 0.00 -0.211 NA ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 9.154 -1.464 -0.868 0.00 0.00 +0.086 C ATOM 9 C LIG 1 8.077 -1.058 0.070 0.00 0.00 +0.108 A ATOM 10 N LIG 1 6.828 -0.585 -0.289 0.00 0.00 -0.325 N ATOM 11 C LIG 1 6.138 -0.306 0.879 0.00 0.00 +0.073 A ATOM 12 C LIG 1 7.014 -0.659 1.899 0.00 0.00 +0.124 A ATOM 13 C LIG 1 6.598 -0.505 3.229 0.00 0.00 +0.151 A ATOM 14 C LIG 1 5.326 0.004 3.512 0.00 0.00 +0.050 A ATOM 15 C LIG 1 4.438 0.378 2.489 0.00 0.00 +0.008 A ATOM 16 F LIG 1 7.403 -0.840 4.249 0.00 0.00 -0.203 F ATOM 17 C LIG 1 4.857 0.212 1.147 0.00 0.00 +0.038 A ATOM 18 N LIG 1 8.196 -1.119 1.381 0.00 0.00 -0.230 NA BRANCH 10 19 ATOM 19 C LIG 1 6.290 -0.369 -1.631 0.00 0.00 +0.083 C ATOM 20 C LIG 1 6.839 0.908 -2.266 0.00 0.00 +0.030 C ATOM 21 C LIG 1 6.422 -1.575 -2.562 0.00 0.00 +0.030 C ENDBRANCH 10 19 ENDBRANCH 1 15 BRANCH 6 22 ATOM 22 N LIG 1 -0.029 0.706 1.076 0.00 0.00 -0.268 N ATOM 23 H LIG 1 0.381 0.133 0.357 0.00 0.00 +0.156 HD BRANCH 22 24 ATOM 24 C LIG 1 -1.376 0.932 0.867 0.00 0.00 +0.125 A ATOM 25 N LIG 1 -1.875 0.358 -0.252 0.00 0.00 -0.236 NA ATOM 26 C LIG 1 -3.191 0.525 -0.548 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -3.695 -0.180 -1.779 0.00 0.00 +0.071 C ATOM 28 C LIG 1 -5.089 0.300 -2.197 0.00 0.00 +0.091 C ATOM 29 N LIG 1 -6.037 0.455 -1.081 0.00 0.00 -0.297 NA ATOM 30 C LIG 1 -5.506 1.450 -0.130 0.00 0.00 +0.121 C ATOM 31 C LIG 1 -4.065 1.248 0.258 0.00 0.00 -0.012 A ATOM 32 C LIG 1 -3.538 1.845 1.400 0.00 0.00 +0.010 A ATOM 33 C LIG 1 -2.187 1.681 1.707 0.00 0.00 +0.044 A BRANCH 29 34 ATOM 34 C LIG 1 -6.387 -0.809 -0.405 0.00 0.00 +0.100 C BRANCH 34 35 ATOM 35 C LIG 1 -7.154 -1.859 -1.258 0.00 0.00 +0.099 C BRANCH 35 36 ATOM 36 N LIG 1 -8.530 -1.573 -1.702 0.00 0.00 -0.307 NA ATOM 37 C LIG 1 -9.437 -1.298 -0.591 0.00 0.00 +0.104 C ATOM 38 C LIG 1 -8.601 -0.511 -2.700 0.00 0.00 +0.104 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 29 34 ENDBRANCH 22 24 ENDBRANCH 6 22 TORSDOF 7