REMARK Name = BDB005966 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.295 0.677 -1.105 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -5.022 -0.187 -0.036 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -3.708 -0.534 0.283 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -2.631 0.021 -0.422 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -1.208 -0.369 -0.086 0.00 0.00 +0.137 C ATOM 6 N LIG 1 -0.215 0.640 -0.483 0.00 0.00 -0.287 N ATOM 7 C LIG 1 -0.393 1.454 -1.592 0.00 0.00 +0.221 C ATOM 8 C LIG 1 -1.754 1.483 -2.262 0.00 0.00 +0.131 C ATOM 9 O LIG 1 0.514 2.148 -2.060 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -2.892 0.916 -1.462 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -4.220 1.232 -1.806 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -0.839 -1.765 -0.583 0.00 0.00 -0.023 A ATOM 13 C LIG 1 -0.540 -2.778 0.346 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -0.198 -4.064 -0.081 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.150 -4.352 -1.442 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 0.272 -5.934 -1.968 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -0.441 -3.364 -2.379 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -0.783 -2.078 -1.952 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 1.093 0.600 0.201 0.00 0.00 +0.077 C ATOM 20 C LIG 1 1.429 1.944 0.868 0.00 0.00 +0.023 C ATOM 21 C LIG 1 2.804 1.898 1.526 0.00 0.00 +0.013 C ATOM 22 C LIG 1 3.924 1.530 0.541 0.00 0.00 +0.056 C ATOM 23 C LIG 1 3.421 1.007 -0.810 0.00 0.00 +0.013 C ATOM 24 C LIG 1 2.226 0.061 -0.694 0.00 0.00 +0.023 C BRANCH 22 25 ATOM 25 C LIG 1 4.867 0.508 1.181 0.00 0.00 +0.140 C ATOM 26 O LIG 1 4.447 -0.585 1.564 0.00 0.00 -0.297 OA BRANCH 25 27 ATOM 27 C LIG 1 6.337 0.911 1.339 0.00 0.00 +0.060 C ATOM 28 C LIG 1 7.088 -0.024 2.293 0.00 0.00 +0.039 C ATOM 29 C LIG 1 7.470 -1.343 1.630 0.00 0.00 +0.160 C ATOM 30 O LIG 1 8.182 -1.106 0.416 0.00 0.00 -0.380 OA ATOM 31 C LIG 1 7.389 -0.407 -0.538 0.00 0.00 +0.160 C ATOM 32 C LIG 1 7.043 0.982 -0.017 0.00 0.00 +0.039 C ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 34 ATOM 33 C LIG 1 -6.915 1.674 -2.547 0.00 0.00 +0.277 C ATOM 34 O LIG 1 -6.615 0.906 -1.390 0.00 0.00 -0.491 OA ENDBRANCH 1 34 BRANCH 2 35 ATOM 35 O LIG 1 -6.004 -0.815 0.688 0.00 0.00 -0.486 OA BRANCH 35 36 ATOM 36 C LIG 1 -6.781 0.092 1.487 0.00 0.00 +0.167 C ATOM 37 C LIG 1 -6.344 -0.062 2.942 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -8.248 -0.296 1.329 0.00 0.00 +0.051 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 7