REMARK Name = BDB014130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.847 0.146 0.676 0.00 0.00 -0.004 A ATOM 2 C LIG 1 0.843 1.508 0.372 0.00 0.00 +0.164 A ATOM 3 F LIG 1 2.009 2.163 0.258 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -0.350 2.211 0.197 0.00 0.00 +0.180 A ATOM 5 F LIG 1 -0.265 3.529 -0.043 0.00 0.00 -0.200 F ATOM 6 C LIG 1 -1.599 1.583 0.320 0.00 0.00 +0.082 A ATOM 7 C LIG 1 -1.594 0.199 0.628 0.00 0.00 +0.063 A ATOM 8 C LIG 1 -0.385 -0.504 0.813 0.00 0.00 +0.022 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -2.886 -0.529 0.799 0.00 0.00 +0.269 C ATOM 10 N LIG 1 -2.886 -1.844 0.365 0.00 0.00 -0.190 N ATOM 11 H LIG 1 -2.277 -2.079 -0.412 0.00 0.00 +0.183 HD ATOM 12 O LIG 1 -3.850 0.061 1.279 0.00 0.00 -0.268 OA BRANCH 10 13 ATOM 13 O LIG 1 -4.191 -2.390 0.237 0.00 0.00 -0.274 OA BRANCH 13 14 ATOM 14 C LIG 1 -4.403 -3.464 1.176 0.00 0.00 +0.087 C ATOM 15 C LIG 1 -5.839 -3.945 0.923 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -3.435 -4.623 0.902 0.00 0.00 +0.043 C ATOM 17 C LIG 1 -4.292 -2.981 2.628 0.00 0.00 +0.043 C ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 7 9 BRANCH 6 18 ATOM 18 N LIG 1 -2.824 2.249 0.096 0.00 0.00 -0.309 N ATOM 19 H LIG 1 -3.610 1.841 0.621 0.00 0.00 +0.152 HD BRANCH 18 20 ATOM 20 C LIG 1 -3.204 3.365 -0.673 0.00 0.00 +0.067 A ATOM 21 C LIG 1 -4.378 4.059 -0.332 0.00 0.00 +0.145 A ATOM 22 F LIG 1 -5.119 3.627 0.701 0.00 0.00 -0.204 F ATOM 23 C LIG 1 -4.806 5.187 -1.028 0.00 0.00 +0.054 A ATOM 24 C LIG 1 -4.046 5.648 -2.097 0.00 0.00 +0.016 A ATOM 25 I LIG 1 -4.658 7.330 -3.154 0.00 0.00 -0.044 I ATOM 26 C LIG 1 -2.877 4.984 -2.464 0.00 0.00 +0.016 A ATOM 27 C LIG 1 -2.460 3.850 -1.752 0.00 0.00 +0.027 A ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 1 28 ATOM 28 C LIG 1 2.149 -0.592 0.883 0.00 0.00 +0.076 C BRANCH 28 32 ATOM 29 C LIG 1 5.030 -0.410 -1.569 0.00 0.00 +0.175 A ATOM 30 C LIG 1 4.279 -0.229 -0.411 0.00 0.00 +0.168 A ATOM 31 F LIG 1 4.785 0.438 0.638 0.00 0.00 -0.202 F ATOM 32 C LIG 1 2.982 -0.740 -0.364 0.00 0.00 -0.003 A ATOM 33 C LIG 1 2.505 -1.415 -1.496 0.00 0.00 +0.026 A ATOM 34 C LIG 1 3.327 -1.524 -2.613 0.00 0.00 +0.113 A ATOM 35 N LIG 1 4.583 -1.032 -2.678 0.00 0.00 -0.236 NA BRANCH 29 36 ATOM 36 N LIG 1 6.370 0.028 -1.701 0.00 0.00 -0.187 N ATOM 37 H LIG 1 6.611 -0.033 -2.690 0.00 0.00 +0.176 HD BRANCH 36 38 ATOM 38 S LIG 1 7.470 -0.926 -0.869 0.00 0.00 +0.110 S ATOM 39 O LIG 1 6.869 -1.559 0.279 0.00 0.00 -0.138 OA ATOM 40 O LIG 1 8.204 -1.665 -1.868 0.00 0.00 -0.138 OA BRANCH 38 42 ATOM 41 C LIG 1 7.973 1.248 0.624 0.00 0.00 +0.129 C ATOM 42 N LIG 1 8.499 0.281 -0.338 0.00 0.00 -0.180 NA ATOM 43 H LIG 1 9.072 0.657 -1.091 0.00 0.00 +0.149 HD ENDBRANCH 38 42 ENDBRANCH 36 38 ENDBRANCH 29 36 ENDBRANCH 28 32 ENDBRANCH 1 28 TORSDOF 10