REMARK Name = BDB059535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.550 0.655 -0.201 0.00 0.00 +0.129 A ATOM 2 N LIG 1 1.342 1.014 -1.223 0.00 0.00 -0.207 NA ATOM 3 C LIG 1 2.518 1.589 -0.935 0.00 0.00 +0.192 A ATOM 4 N LIG 1 2.963 1.852 0.298 0.00 0.00 -0.210 NA ATOM 5 C LIG 1 2.123 1.490 1.282 0.00 0.00 +0.135 A ATOM 6 CL LIG 1 2.708 1.844 2.855 0.00 0.00 -0.062 Cl ATOM 7 C LIG 1 0.903 0.893 1.105 0.00 0.00 +0.084 A ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -0.681 0.085 -0.544 0.00 0.00 -0.299 N ATOM 9 H LIG 1 -0.736 0.025 -1.560 0.00 0.00 +0.154 HD BRANCH 8 14 ATOM 10 C LIG 1 -5.028 -2.289 0.123 0.00 0.00 +0.045 C ATOM 11 C LIG 1 -3.550 -2.142 0.391 0.00 0.00 -0.027 A ATOM 12 C LIG 1 -2.812 -1.059 -0.164 0.00 0.00 -0.025 A ATOM 13 C LIG 1 -3.512 -0.034 -1.030 0.00 0.00 +0.046 C ATOM 14 C LIG 1 -1.418 -0.948 0.078 0.00 0.00 +0.036 A ATOM 15 C LIG 1 -0.792 -1.896 0.897 0.00 0.00 +0.025 A ATOM 16 C LIG 1 -1.522 -2.925 1.487 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -2.888 -3.046 1.244 0.00 0.00 +0.044 A ATOM 18 CL LIG 1 -3.715 -4.342 2.037 0.00 0.00 -0.083 Cl ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 3 19 ATOM 19 S LIG 1 3.534 2.056 -2.308 0.00 0.00 -0.075 S BRANCH 19 20 ATOM 20 C LIG 1 5.185 1.905 -1.569 0.00 0.00 +0.197 C BRANCH 20 21 ATOM 21 C LIG 1 5.654 3.213 -0.976 0.00 0.00 +0.315 C ATOM 22 O LIG 1 6.575 3.871 -1.440 0.00 0.00 -0.250 OA BRANCH 21 23 ATOM 23 O LIG 1 5.001 3.598 0.144 0.00 0.00 -0.480 OA ATOM 24 H LIG 1 4.273 2.988 0.400 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 3 19 TORSDOF 6