REMARK Name = BDB009810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.164 2.951 2.406 0.00 0.00 +0.021 C ATOM 2 C LIG 1 -0.584 2.256 1.157 0.00 0.00 +0.055 C ATOM 3 C LIG 1 0.609 1.384 1.594 0.00 0.00 +0.223 C ATOM 4 O LIG 1 1.347 1.767 2.505 0.00 0.00 -0.275 OA ATOM 5 N LIG 1 0.918 0.266 0.826 0.00 0.00 -0.289 N ATOM 6 C LIG 1 -0.106 -0.463 0.038 0.00 0.00 +0.114 C ATOM 7 C LIG 1 -1.154 0.500 -0.587 0.00 0.00 +0.045 C ATOM 8 C LIG 1 -1.704 1.429 0.502 0.00 0.00 +0.026 C ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -0.737 -1.617 0.830 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -1.095 -1.507 2.184 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -1.683 -2.581 2.860 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -1.919 -3.777 2.190 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -2.643 -5.097 3.024 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -1.572 -3.912 0.850 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.984 -2.840 0.175 0.00 0.00 +0.007 A ENDBRANCH 6 9 BRANCH 7 16 ATOM 16 C LIG 1 -2.224 -0.190 -1.426 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -1.950 -0.475 -2.776 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -2.893 -1.127 -3.571 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -2.532 -1.471 -5.218 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -4.122 -1.507 -3.041 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.408 -1.234 -1.705 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.467 -0.582 -0.904 0.00 0.00 +0.004 A ENDBRANCH 7 16 BRANCH 5 23 ATOM 23 C LIG 1 2.303 -0.268 0.913 0.00 0.00 +0.095 C BRANCH 23 24 ATOM 24 C LIG 1 2.361 -1.640 1.540 0.00 0.00 +0.011 C ATOM 25 C LIG 1 2.215 -1.807 3.033 0.00 0.00 +0.006 C ATOM 26 C LIG 1 3.549 -2.038 2.384 0.00 0.00 +0.006 C ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 3.039 -0.251 -0.452 0.00 0.00 +0.128 C BRANCH 27 28 ATOM 28 N LIG 1 2.970 1.088 -1.052 0.00 0.00 -0.193 NA ATOM 29 H LIG 1 3.393 1.877 -0.562 0.00 0.00 +0.148 HD BRANCH 28 30 ATOM 30 S LIG 1 2.653 1.288 -2.670 0.00 0.00 +0.027 S ATOM 31 O LIG 1 1.553 0.415 -3.013 0.00 0.00 -0.158 OA ATOM 32 O LIG 1 2.591 2.715 -2.889 0.00 0.00 -0.158 OA ATOM 33 C LIG 1 4.140 0.670 -3.431 0.00 0.00 +0.214 C ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 5 23 BRANCH 2 34 ATOM 34 C LIG 1 0.026 3.315 0.206 0.00 0.00 +0.136 C BRANCH 34 35 ATOM 35 C LIG 1 -0.978 4.258 -0.392 0.00 0.00 +0.306 C ATOM 36 O LIG 1 -1.438 5.256 0.138 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -1.379 3.881 -1.619 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -2.007 4.578 -1.901 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 10