REMARK Name = BDB000853 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.268 -0.146 -0.183 0.00 0.00 +0.159 C ATOM 2 C LIG 1 1.729 -0.159 -0.160 0.00 0.00 +0.237 C ATOM 3 O LIG 1 1.109 0.760 0.396 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 1.064 -1.251 -0.669 0.00 0.00 -0.285 N ATOM 5 C LIG 1 1.545 -2.249 -1.623 0.00 0.00 +0.077 C ATOM 6 C LIG 1 0.344 -3.190 -1.791 0.00 0.00 +0.025 C ATOM 7 C LIG 1 -0.852 -2.260 -1.655 0.00 0.00 +0.034 C ATOM 8 C LIG 1 2.818 -3.037 -1.293 0.00 0.00 +0.022 C ATOM 9 C LIG 1 3.095 -3.283 0.190 0.00 0.00 +0.002 C ATOM 10 C LIG 1 4.194 -2.378 0.750 0.00 0.00 +0.002 C ATOM 11 C LIG 1 -0.402 -1.257 -0.595 0.00 0.00 +0.162 C ATOM 12 C LIG 1 3.795 -0.928 1.027 0.00 0.00 +0.032 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.810 2.030 -1.209 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.660 1.264 -0.071 0.00 0.00 -0.303 N ATOM 15 H LIG 1 3.275 1.740 0.737 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 3.854 1.549 -2.340 0.00 0.00 -0.274 OA BRANCH 13 18 ATOM 17 C LIG 1 2.594 4.140 -0.540 0.00 0.00 +0.033 C ATOM 18 C LIG 1 3.938 3.547 -0.943 0.00 0.00 +0.135 C BRANCH 18 19 ATOM 19 N LIG 1 4.434 4.228 -2.156 0.00 0.00 -0.320 NA ATOM 20 H LIG 1 5.306 3.771 -2.433 0.00 0.00 +0.119 HD ATOM 21 H LIG 1 3.794 3.993 -2.921 0.00 0.00 +0.119 HD ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 1 14 BRANCH 11 22 ATOM 22 C LIG 1 -0.866 -1.701 0.810 0.00 0.00 +0.234 C ATOM 23 N LIG 1 -1.917 -1.069 1.410 0.00 0.00 -0.303 N ATOM 24 H LIG 1 -2.094 -1.404 2.348 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 -0.352 -2.654 1.402 0.00 0.00 -0.274 OA BRANCH 23 26 ATOM 26 C LIG 1 -2.494 0.219 1.053 0.00 0.00 +0.134 C BRANCH 26 27 ATOM 27 C LIG 1 -3.129 0.851 2.285 0.00 0.00 -0.023 A ATOM 28 C LIG 1 -2.418 1.830 3.001 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -2.958 2.406 4.153 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.210 2.005 4.612 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.922 1.026 3.922 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.384 0.448 2.771 0.00 0.00 +0.006 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 -3.437 0.132 -0.144 0.00 0.00 -0.023 A ATOM 34 C LIG 1 -3.610 1.259 -0.966 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -4.464 1.215 -2.069 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.162 0.046 -2.365 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.012 -1.077 -1.555 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.159 -1.034 -0.450 0.00 0.00 +0.006 A ENDBRANCH 26 33 ENDBRANCH 23 26 ENDBRANCH 11 22 TORSDOF 7