REMARK Name = BDB019892 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.112 -0.187 1.428 0.00 0.00 +0.073 A ATOM 2 C LIG 1 -0.571 -0.801 0.261 0.00 0.00 +0.143 A ATOM 3 F LIG 1 0.248 -1.590 -0.458 0.00 0.00 -0.204 F ATOM 4 C LIG 1 -1.884 -0.612 -0.198 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -2.738 0.224 0.539 0.00 0.00 +0.016 A ATOM 6 C LIG 1 -2.301 0.859 1.712 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -0.984 0.646 2.146 0.00 0.00 +0.021 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 -2.358 -1.252 -1.433 0.00 0.00 -0.003 A ATOM 9 C LIG 1 -2.879 -2.568 -1.453 0.00 0.00 +0.065 A ATOM 10 C LIG 1 -3.310 -3.117 -2.676 0.00 0.00 +0.051 A ATOM 11 C LIG 1 -3.229 -2.375 -3.848 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -3.645 -2.916 -5.000 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -2.726 -1.083 -3.840 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -2.293 -0.524 -2.638 0.00 0.00 +0.012 A BRANCH 9 15 ATOM 15 C LIG 1 -2.990 -3.395 -0.193 0.00 0.00 +0.418 C ATOM 16 F LIG 1 -3.768 -2.807 0.758 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -1.785 -3.629 0.396 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -3.539 -4.626 -0.401 0.00 0.00 -0.166 F ENDBRANCH 9 15 ENDBRANCH 4 8 BRANCH 1 21 ATOM 19 N LIG 1 2.052 -1.328 1.353 0.00 0.00 -0.304 N ATOM 20 H LIG 1 1.693 -1.841 0.558 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 1.276 -0.359 1.942 0.00 0.00 +0.247 C ATOM 22 O LIG 1 1.671 0.349 2.863 0.00 0.00 -0.270 OA BRANCH 19 23 ATOM 23 C LIG 1 3.465 -1.470 1.644 0.00 0.00 +0.107 C BRANCH 23 30 ATOM 24 C LIG 1 4.501 0.785 -2.804 0.00 0.00 +0.047 C ATOM 25 C LIG 1 4.815 0.541 -1.360 0.00 0.00 -0.015 A ATOM 26 C LIG 1 5.949 1.112 -0.779 0.00 0.00 +0.126 A ATOM 27 F LIG 1 6.747 1.903 -1.511 0.00 0.00 -0.205 F ATOM 28 C LIG 1 6.273 0.877 0.551 0.00 0.00 +0.039 A ATOM 29 C LIG 1 5.461 0.048 1.325 0.00 0.00 +0.008 A ATOM 30 C LIG 1 4.318 -0.556 0.772 0.00 0.00 -0.027 A ATOM 31 C LIG 1 4.011 -0.302 -0.579 0.00 0.00 +0.011 A ENDBRANCH 23 30 BRANCH 23 32 ATOM 32 C LIG 1 3.814 -2.938 1.550 0.00 0.00 +0.014 C ATOM 33 C LIG 1 3.832 -3.705 0.246 0.00 0.00 +0.006 C ATOM 34 C LIG 1 5.114 -3.484 1.001 0.00 0.00 +0.006 C ENDBRANCH 23 32 ENDBRANCH 19 23 ENDBRANCH 1 21 BRANCH 6 35 ATOM 35 C LIG 1 -3.226 1.775 2.488 0.00 0.00 +0.159 C BRANCH 35 36 ATOM 36 N LIG 1 -3.513 2.981 1.740 0.00 0.00 -0.313 N ATOM 37 C LIG 1 -4.651 3.208 0.956 0.00 0.00 +0.204 A ATOM 38 N LIG 1 -5.689 2.473 0.774 0.00 0.00 -0.268 NA ATOM 39 H LIG 1 -5.619 1.624 1.331 0.00 0.00 +0.190 HD ATOM 40 N LIG 1 -4.417 4.454 0.368 0.00 0.00 -0.320 N ATOM 41 C LIG 1 -5.308 5.052 -0.594 0.00 0.00 +0.152 C ATOM 42 C LIG 1 -3.179 4.938 0.754 0.00 0.00 +0.106 A ATOM 43 C LIG 1 -2.629 4.048 1.591 0.00 0.00 +0.107 A ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 8