REMARK Name = BDB002135 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.855 0.381 -1.513 0.00 0.00 +0.161 A ATOM 2 C LIG 1 -1.784 -0.830 -2.395 0.00 0.00 +0.277 A ATOM 3 O LIG 1 -1.767 -0.709 -3.619 0.00 0.00 -0.266 OA ATOM 4 N LIG 1 -1.753 -2.035 -1.779 0.00 0.00 -0.300 N ATOM 5 H LIG 1 -1.675 -2.868 -2.341 0.00 0.00 +0.171 HD ATOM 6 C LIG 1 -1.684 -2.126 -0.431 0.00 0.00 +0.173 A ATOM 7 N LIG 1 -1.734 -1.119 0.367 0.00 0.00 -0.187 NA ATOM 8 C LIG 1 -1.844 0.136 -0.185 0.00 0.00 +0.242 A ENDROOT BRANCH 1 11 ATOM 9 C LIG 1 -2.174 3.892 -2.852 0.00 0.00 +0.109 C ATOM 10 C LIG 1 -1.935 2.867 -1.773 0.00 0.00 +0.214 C ATOM 11 N LIG 1 -1.956 1.572 -2.218 0.00 0.00 -0.277 N ATOM 12 H LIG 1 -2.007 1.424 -3.229 0.00 0.00 +0.155 HD ATOM 13 O LIG 1 -1.763 3.197 -0.602 0.00 0.00 -0.276 OA ENDBRANCH 1 11 BRANCH 8 14 ATOM 14 O LIG 1 -1.940 1.114 0.780 0.00 0.00 -0.491 OA ATOM 15 H LIG 1 -1.858 1.988 0.347 0.00 0.00 +0.294 HD ENDBRANCH 8 14 BRANCH 6 16 ATOM 16 S LIG 1 -1.537 -3.768 0.110 0.00 0.00 -0.078 S BRANCH 16 17 ATOM 17 C LIG 1 -1.151 -3.525 1.870 0.00 0.00 +0.173 C BRANCH 17 18 ATOM 18 C LIG 1 0.298 -3.100 2.056 0.00 0.00 +0.224 C ATOM 19 N LIG 1 0.528 -1.752 1.929 0.00 0.00 -0.308 N ATOM 20 H LIG 1 -0.254 -1.142 1.690 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 1.187 -3.914 2.294 0.00 0.00 -0.275 OA BRANCH 19 22 ATOM 22 C LIG 1 1.848 -1.163 2.051 0.00 0.00 +0.100 C ATOM 23 C LIG 1 2.047 -0.577 3.450 0.00 0.00 +0.033 C BRANCH 22 24 ATOM 24 C LIG 1 2.071 -0.149 0.943 0.00 0.00 -0.027 A ATOM 25 C LIG 1 1.425 1.098 0.934 0.00 0.00 +0.005 A ATOM 26 C LIG 1 1.653 2.011 -0.099 0.00 0.00 +0.000 A ATOM 27 C LIG 1 2.531 1.693 -1.135 0.00 0.00 +0.000 A ATOM 28 C LIG 1 3.165 0.453 -1.151 0.00 0.00 +0.000 A ATOM 29 C LIG 1 2.931 -0.464 -0.123 0.00 0.00 +0.005 A ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 6 16 TORSDOF 7