REMARK Name = BDB013382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.788 0.941 2.134 0.00 0.00 +0.032 C ATOM 2 C LIG 1 1.297 -0.279 1.319 0.00 0.00 +0.083 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -0.152 -0.099 0.796 0.00 0.00 -0.025 A ATOM 4 C LIG 1 -0.878 -1.210 0.323 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -2.179 -1.067 -0.177 0.00 0.00 +0.050 A ATOM 6 C LIG 1 -2.803 0.184 -0.242 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -4.178 0.273 -0.789 0.00 0.00 -0.030 A ATOM 8 C LIG 1 -4.841 1.627 -0.903 0.00 0.00 +0.036 C ATOM 9 C LIG 1 -6.122 1.626 -1.742 0.00 0.00 +0.005 C ATOM 10 C LIG 1 -6.988 0.418 -1.420 0.00 0.00 +0.005 C ATOM 11 C LIG 1 -6.227 -0.879 -1.690 0.00 0.00 +0.041 C ATOM 12 C LIG 1 -4.812 -0.855 -1.175 0.00 0.00 +0.021 A ATOM 13 C LIG 1 -4.135 -2.184 -1.103 0.00 0.00 +0.253 A ATOM 14 O LIG 1 -4.689 -3.216 -1.471 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -2.085 1.291 0.224 0.00 0.00 +0.010 A ATOM 16 N LIG 1 -2.861 -2.204 -0.614 0.00 0.00 -0.322 N ATOM 17 H LIG 1 -2.429 -3.116 -0.566 0.00 0.00 +0.169 HD ATOM 18 C LIG 1 -0.782 1.154 0.728 0.00 0.00 +0.006 A ENDBRANCH 2 3 BRANCH 2 19 ATOM 19 C LIG 1 1.368 -1.458 2.227 0.00 0.00 +0.074 C ATOM 20 N LIG 1 1.422 -2.392 2.916 0.00 0.00 -0.196 NA ENDBRANCH 2 19 BRANCH 2 21 ATOM 21 C LIG 1 2.207 -0.513 0.071 0.00 0.00 +0.061 C BRANCH 21 22 ATOM 22 C LIG 1 3.701 -0.574 0.314 0.00 0.00 -0.042 A ATOM 23 C LIG 1 4.499 0.563 0.114 0.00 0.00 +0.049 A ATOM 24 C LIG 1 5.881 0.532 0.341 0.00 0.00 +0.130 A ATOM 25 C LIG 1 6.471 -0.655 0.773 0.00 0.00 +0.046 A ATOM 26 C LIG 1 5.687 -1.795 0.969 0.00 0.00 +0.004 A ATOM 27 C LIG 1 4.312 -1.758 0.739 0.00 0.00 +0.004 A BRANCH 24 28 ATOM 28 O LIG 1 6.516 1.717 0.106 0.00 0.00 -0.406 OA BRANCH 28 29 ATOM 29 C LIG 1 7.919 1.766 0.305 0.00 0.00 +0.575 C ATOM 30 F LIG 1 8.352 3.013 0.016 0.00 0.00 -0.133 F ATOM 31 F LIG 1 8.238 1.499 1.590 0.00 0.00 -0.133 F ATOM 32 F LIG 1 8.559 0.900 -0.510 0.00 0.00 -0.133 F ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 6