REMARK Name = BDB063436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.332 -2.993 1.266 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.652 -1.635 1.151 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -1.971 -1.187 0.925 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -2.990 -2.141 0.785 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -2.692 -3.502 0.920 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -1.379 -3.917 1.151 0.00 0.00 +0.024 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.244 0.288 0.837 0.00 0.00 +0.418 C ATOM 8 F LIG 1 -1.186 1.071 1.186 0.00 0.00 -0.166 F ATOM 9 F LIG 1 -2.558 0.654 -0.443 0.00 0.00 -0.166 F ATOM 10 F LIG 1 -3.282 0.698 1.609 0.00 0.00 -0.166 F ENDBRANCH 3 7 BRANCH 4 11 ATOM 11 C LIG 1 -4.414 -1.798 0.521 0.00 0.00 +0.251 C ATOM 12 N LIG 1 -4.619 -0.987 -0.578 0.00 0.00 -0.252 N ATOM 13 H LIG 1 -3.834 -0.655 -1.123 0.00 0.00 +0.158 HD ATOM 14 O LIG 1 -5.255 -2.294 1.259 0.00 0.00 -0.270 OA BRANCH 12 15 ATOM 15 C LIG 1 -5.883 -0.613 -0.963 0.00 0.00 +0.201 A ATOM 16 N LIG 1 -6.077 0.226 -2.033 0.00 0.00 -0.326 N ATOM 17 H LIG 1 -5.353 0.636 -2.600 0.00 0.00 +0.169 HD ATOM 18 C LIG 1 -7.426 0.422 -2.195 0.00 0.00 +0.068 A ATOM 19 C LIG 1 -8.008 -0.331 -1.180 0.00 0.00 +0.103 A ATOM 20 C LIG 1 -9.410 -0.353 -1.058 0.00 0.00 +0.064 A ATOM 21 C LIG 1 -10.171 0.394 -1.976 0.00 0.00 +0.015 A ATOM 22 C LIG 1 -9.554 1.141 -2.985 0.00 0.00 +0.003 A ATOM 23 C LIG 1 -8.162 1.172 -3.116 0.00 0.00 +0.028 A ATOM 24 N LIG 1 -7.031 -0.956 -0.434 0.00 0.00 -0.214 NA BRANCH 20 25 ATOM 25 C LIG 1 -10.094 -1.133 0.001 0.00 0.00 +0.244 C ATOM 26 O LIG 1 -11.316 -1.132 0.101 0.00 0.00 -0.270 OA ATOM 27 N LIG 1 -9.312 -1.848 0.862 0.00 0.00 -0.325 N ATOM 28 H LIG 1 -9.743 -2.358 1.618 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 -8.292 -1.819 0.807 0.00 0.00 +0.145 HD ENDBRANCH 20 25 ENDBRANCH 12 15 ENDBRANCH 4 11 BRANCH 1 30 ATOM 30 N LIG 1 0.963 -3.473 1.473 0.00 0.00 -0.284 N ATOM 31 H LIG 1 1.076 -4.471 1.589 0.00 0.00 +0.155 HD BRANCH 30 34 ATOM 32 C LIG 1 3.623 -1.034 1.599 0.00 0.00 +0.130 A ATOM 33 N LIG 1 2.381 -1.547 1.491 0.00 0.00 -0.199 NA ATOM 34 C LIG 1 2.216 -2.874 1.594 0.00 0.00 +0.221 A ATOM 35 N LIG 1 3.224 -3.731 1.806 0.00 0.00 -0.223 NA ATOM 36 C LIG 1 4.451 -3.204 1.930 0.00 0.00 +0.118 A ATOM 37 C LIG 1 4.707 -1.860 1.835 0.00 0.00 +0.064 A BRANCH 32 38 ATOM 38 N LIG 1 3.836 0.369 1.516 0.00 0.00 -0.288 N ATOM 39 C LIG 1 2.597 1.143 1.380 0.00 0.00 +0.137 C BRANCH 38 47 ATOM 40 C LIG 1 8.853 2.736 -2.316 0.00 0.00 +0.066 C ATOM 41 C LIG 1 8.035 2.836 -1.082 0.00 0.00 +0.044 A ATOM 42 N LIG 1 8.236 3.790 -0.111 0.00 0.00 -0.270 N ATOM 43 C LIG 1 9.259 4.811 -0.088 0.00 0.00 +0.172 C ATOM 44 N LIG 1 7.364 3.733 0.918 0.00 0.00 -0.171 NA ATOM 45 C LIG 1 6.582 2.676 0.653 0.00 0.00 +0.095 A ATOM 46 C LIG 1 5.518 2.137 1.394 0.00 0.00 +0.053 A ATOM 47 C LIG 1 4.918 0.989 0.815 0.00 0.00 +0.037 A ATOM 48 C LIG 1 5.368 0.446 -0.443 0.00 0.00 +0.024 A ATOM 49 C LIG 1 6.428 0.974 -1.213 0.00 0.00 +0.013 A ATOM 50 C LIG 1 6.987 2.089 -0.599 0.00 0.00 +0.023 A ENDBRANCH 38 47 ENDBRANCH 32 38 ENDBRANCH 30 34 ENDBRANCH 1 30 TORSDOF 8