REMARK Name = BDB013634 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.383 -2.294 -0.029 0.00 0.00 -0.013 A ATOM 2 C LIG 1 0.054 -3.447 -0.747 0.00 0.00 +0.045 A ATOM 3 CL LIG 1 1.262 -4.466 -1.444 0.00 0.00 -0.083 Cl ATOM 4 C LIG 1 -1.283 -3.819 -0.907 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -2.310 -3.044 -0.358 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -2.018 -1.892 0.381 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -0.662 -1.546 0.549 0.00 0.00 +0.010 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 1.800 -1.806 0.133 0.00 0.00 +0.146 C BRANCH 8 20 ATOM 9 C LIG 1 6.115 -0.836 0.009 0.00 0.00 +0.053 C ATOM 10 C LIG 1 4.637 -0.481 -0.140 0.00 0.00 +0.186 C ATOM 11 O LIG 1 4.595 0.850 -0.681 0.00 0.00 -0.486 OA ATOM 12 C LIG 1 3.516 1.554 -0.228 0.00 0.00 +0.147 A ATOM 13 C LIG 1 2.216 1.327 -0.671 0.00 0.00 +0.147 A ATOM 14 C LIG 1 1.156 2.099 -0.179 0.00 0.00 +0.032 A ATOM 15 C LIG 1 1.406 3.108 0.752 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.712 3.352 1.177 0.00 0.00 +0.004 A ATOM 17 S LIG 1 1.886 0.067 -1.868 0.00 0.00 +0.065 S ATOM 18 O LIG 1 0.448 -0.042 -1.998 0.00 0.00 -0.153 OA ATOM 19 O LIG 1 2.700 0.341 -3.033 0.00 0.00 -0.153 OA ATOM 20 N LIG 1 2.466 -1.343 -1.109 0.00 0.00 -0.169 NA ATOM 21 C LIG 1 3.767 2.583 0.682 0.00 0.00 +0.047 A ATOM 22 C LIG 1 3.952 -1.485 -1.083 0.00 0.00 +0.154 C ENDBRANCH 8 20 ENDBRANCH 1 8 BRANCH 6 23 ATOM 23 C LIG 1 -3.083 -0.969 0.989 0.00 0.00 +0.060 C BRANCH 23 24 ATOM 24 C LIG 1 -2.973 0.454 0.435 0.00 0.00 -0.033 A ATOM 25 C LIG 1 -2.758 1.513 1.236 0.00 0.00 +0.074 A ATOM 26 C LIG 1 -2.596 2.884 0.679 0.00 0.00 +0.251 A ATOM 27 O LIG 1 -2.349 3.810 1.447 0.00 0.00 -0.268 OA ATOM 28 N LIG 1 -2.717 2.997 -0.702 0.00 0.00 -0.318 N ATOM 29 C LIG 1 -2.543 4.297 -1.329 0.00 0.00 +0.152 C ATOM 30 C LIG 1 -2.932 1.897 -1.512 0.00 0.00 +0.089 A ATOM 31 C LIG 1 -3.063 0.669 -0.998 0.00 0.00 +0.022 A ENDBRANCH 23 24 BRANCH 23 32 ATOM 32 C LIG 1 -4.546 -1.434 0.898 0.00 0.00 +0.133 C BRANCH 32 33 ATOM 33 C LIG 1 -4.816 -2.622 1.776 0.00 0.00 +0.306 C ATOM 34 O LIG 1 -5.175 -3.725 1.400 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -4.663 -2.360 3.087 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -4.896 -3.204 3.529 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 23 32 ENDBRANCH 6 23 TORSDOF 7