REMARK Name = BDB026260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.927 -1.065 -1.270 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.336 0.214 -1.061 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.018 0.337 -0.725 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.823 -0.800 -0.622 0.00 0.00 +0.016 A ATOM 5 C LIG 1 1.257 -2.050 -0.871 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.007 -3.160 -0.789 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.090 -2.185 -1.200 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -2.667 -2.668 1.319 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.727 -2.119 0.351 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.300 -3.110 -0.591 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -4.823 -4.304 0.066 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.341 -3.461 -1.653 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.813 -2.229 -2.421 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.304 -1.158 -1.539 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.207 -0.856 -0.395 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.251 -0.669 -0.297 0.00 0.00 -0.024 C ATOM 17 C LIG 1 3.605 -0.634 1.175 0.00 0.00 +0.142 C ATOM 18 N LIG 1 5.017 -0.259 1.382 0.00 0.00 -0.305 N ATOM 19 C LIG 1 5.964 -0.855 0.434 0.00 0.00 +0.111 C ATOM 20 C LIG 1 5.610 -0.456 -1.006 0.00 0.00 +0.046 C ATOM 21 C LIG 1 4.147 -0.576 -1.295 0.00 0.00 -0.020 C BRANCH 18 22 ATOM 22 C LIG 1 5.382 -0.047 2.685 0.00 0.00 +0.162 A ATOM 23 S LIG 1 7.000 0.351 3.177 0.00 0.00 -0.042 S ATOM 24 C LIG 1 6.495 0.484 4.799 0.00 0.00 +0.110 A ATOM 25 C LIG 1 5.151 0.217 4.886 0.00 0.00 +0.139 A ATOM 26 N LIG 1 4.530 -0.086 3.691 0.00 0.00 -0.232 NA BRANCH 24 27 ATOM 27 C LIG 1 7.347 0.824 5.886 0.00 0.00 +0.108 C ATOM 28 N LIG 1 8.040 1.099 6.776 0.00 0.00 -0.190 NA ENDBRANCH 24 27 ENDBRANCH 18 22 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -1.171 1.332 -1.288 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.080 1.069 -1.658 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.906 2.655 -1.030 0.00 0.00 +0.249 C ATOM 32 O LIG 1 0.081 3.133 -0.490 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.986 3.584 -1.442 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -2.513 4.520 -0.533 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -3.501 5.412 -0.991 0.00 0.00 +0.051 A ATOM 36 C LIG 1 -3.946 5.354 -2.309 0.00 0.00 +0.124 A ATOM 37 F LIG 1 -4.889 6.210 -2.722 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -3.426 4.426 -3.201 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -2.440 3.539 -2.772 0.00 0.00 +0.016 A BRANCH 34 40 ATOM 40 C LIG 1 -2.062 4.572 0.905 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -1.993 3.344 1.489 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.936 5.276 1.688 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -0.860 5.177 1.082 0.00 0.00 -0.166 F ENDBRANCH 34 40 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 7