REMARK Name = BDB058151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.740 -0.297 -0.040 0.00 0.00 +0.141 A ATOM 2 N LIG 1 2.280 -1.532 -0.320 0.00 0.00 -0.306 N ATOM 3 H LIG 1 1.695 -2.330 -0.518 0.00 0.00 +0.170 HD ATOM 4 C LIG 1 3.626 -1.759 -0.460 0.00 0.00 +0.260 A ATOM 5 O LIG 1 4.075 -2.861 -0.748 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 4.492 -0.590 -0.250 0.00 0.00 +0.067 A ATOM 7 C LIG 1 3.868 0.628 0.035 0.00 0.00 +0.079 A ATOM 8 C LIG 1 4.664 1.759 0.236 0.00 0.00 +0.031 A ATOM 9 C LIG 1 6.056 1.666 0.152 0.00 0.00 +0.040 A ATOM 10 C LIG 1 6.650 0.440 -0.134 0.00 0.00 +0.124 A ATOM 11 F LIG 1 7.984 0.358 -0.213 0.00 0.00 -0.205 F ATOM 12 C LIG 1 5.882 -0.697 -0.338 0.00 0.00 +0.053 A ATOM 13 N LIG 1 2.473 0.759 0.126 0.00 0.00 -0.229 NA ENDROOT BRANCH 1 17 ATOM 14 C LIG 1 -2.569 0.023 0.188 0.00 0.00 -0.042 A ATOM 15 C LIG 1 -1.913 -1.177 0.526 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -0.519 -1.299 0.462 0.00 0.00 +0.012 A ATOM 17 C LIG 1 0.258 -0.216 0.047 0.00 0.00 +0.017 A ATOM 18 C LIG 1 -0.371 0.989 -0.276 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -1.765 1.104 -0.211 0.00 0.00 +0.005 A BRANCH 14 21 ATOM 20 C LIG 1 -4.670 1.491 -0.145 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -4.103 0.115 0.273 0.00 0.00 -0.013 C ATOM 22 C LIG 1 -4.558 -0.145 1.725 0.00 0.00 +0.015 C ATOM 23 C LIG 1 -4.740 -0.941 -0.657 0.00 0.00 +0.015 C ENDBRANCH 14 21 ENDBRANCH 1 17 TORSDOF 2