REMARK Name = BDB009859 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.009 -2.411 0.186 0.00 0.00 +0.058 C ATOM 2 C LIG 1 0.441 -1.911 0.024 0.00 0.00 +0.223 C ATOM 3 O LIG 1 1.357 -2.715 -0.146 0.00 0.00 -0.275 OA ATOM 4 N LIG 1 0.665 -0.532 0.029 0.00 0.00 -0.288 N ATOM 5 C LIG 1 -0.478 0.404 0.189 0.00 0.00 +0.114 C ATOM 6 C LIG 1 -1.438 -0.071 1.315 0.00 0.00 +0.045 C ATOM 7 C LIG 1 -1.690 -1.595 1.315 0.00 0.00 +0.027 C ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -0.116 1.886 0.348 0.00 0.00 -0.026 A ATOM 9 C LIG 1 0.457 2.396 1.525 0.00 0.00 +0.007 A ATOM 10 C LIG 1 0.775 3.752 1.637 0.00 0.00 +0.020 A ATOM 11 C LIG 1 0.520 4.615 0.575 0.00 0.00 +0.041 A ATOM 12 CL LIG 1 0.911 6.284 0.714 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 -0.051 4.133 -0.599 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -0.367 2.777 -0.713 0.00 0.00 +0.007 A ENDBRANCH 5 8 BRANCH 6 15 ATOM 15 C LIG 1 -2.753 0.703 1.373 0.00 0.00 -0.041 A ATOM 16 C LIG 1 -3.082 1.422 2.534 0.00 0.00 +0.024 A ATOM 17 C LIG 1 -4.272 2.146 2.608 0.00 0.00 +0.041 A ATOM 18 CL LIG 1 -4.650 3.024 4.039 0.00 0.00 -0.084 Cl ATOM 19 C LIG 1 -5.156 2.163 1.533 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -4.846 1.451 0.377 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -3.653 0.726 0.297 0.00 0.00 +0.004 A ENDBRANCH 6 15 BRANCH 1 23 ATOM 22 C LIG 1 -3.131 -2.958 -1.236 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -1.759 -2.292 -1.171 0.00 0.00 +0.013 C ENDBRANCH 1 23 BRANCH 4 24 ATOM 24 C LIG 1 2.051 -0.020 -0.190 0.00 0.00 +0.101 C BRANCH 24 25 ATOM 25 C LIG 1 2.862 0.020 1.097 0.00 0.00 +0.011 C ATOM 26 C LIG 1 3.504 -1.208 1.703 0.00 0.00 +0.006 C ATOM 27 C LIG 1 2.390 -0.520 2.433 0.00 0.00 +0.006 C ENDBRANCH 24 25 BRANCH 24 28 ATOM 28 C LIG 1 2.796 -0.701 -1.350 0.00 0.00 +0.188 C BRANCH 28 29 ATOM 29 S LIG 1 3.946 0.389 -2.175 0.00 0.00 -0.030 S ATOM 30 O LIG 1 4.630 1.199 -1.186 0.00 0.00 -0.174 OA ATOM 31 O LIG 1 4.705 -0.417 -3.115 0.00 0.00 -0.174 OA BRANCH 29 32 ATOM 32 C LIG 1 2.894 1.467 -3.140 0.00 0.00 +0.162 C ATOM 33 C LIG 1 3.707 2.429 -3.984 0.00 0.00 +0.028 C ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 4 24 BRANCH 1 34 ATOM 34 C LIG 1 -0.955 -3.889 0.690 0.00 0.00 +0.136 C BRANCH 34 35 ATOM 35 C LIG 1 -0.353 -4.904 -0.256 0.00 0.00 +0.306 C ATOM 36 O LIG 1 -0.470 -4.955 -1.467 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 0.314 -5.872 0.405 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 0.681 -6.433 -0.310 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 11