REMARK Name = BDB008142 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.730 0.567 1.096 0.00 0.00 +0.159 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.112 0.198 0.513 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -2.120 -0.998 -0.171 0.00 0.00 -0.303 N ATOM 4 H LIG 1 -1.304 -1.603 -0.085 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -3.133 0.847 0.718 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 -3.341 -1.618 -0.669 0.00 0.00 +0.156 C ATOM 7 C LIG 1 -3.837 -0.930 -1.937 0.00 0.00 +0.038 C BRANCH 6 8 ATOM 8 C LIG 1 -3.022 -3.099 -0.939 0.00 0.00 +0.231 C ATOM 9 O LIG 1 -1.889 -3.568 -0.838 0.00 0.00 -0.274 OA ATOM 10 N LIG 1 -4.072 -3.890 -1.304 0.00 0.00 -0.328 N ATOM 11 H LIG 1 -3.887 -4.877 -1.431 0.00 0.00 +0.145 HD ATOM 12 H LIG 1 -5.034 -3.593 -1.221 0.00 0.00 +0.145 HD ENDBRANCH 6 8 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 13 ATOM 13 N LIG 1 0.348 -0.039 0.311 0.00 0.00 -0.302 N ATOM 14 H LIG 1 0.284 0.029 -0.699 0.00 0.00 +0.150 HD ATOM 15 C LIG 1 1.535 -0.429 0.881 0.00 0.00 +0.234 C ATOM 16 O LIG 1 1.750 -0.354 2.090 0.00 0.00 -0.274 OA BRANCH 15 17 ATOM 17 C LIG 1 2.576 -0.988 -0.108 0.00 0.00 +0.156 C ATOM 18 C LIG 1 2.079 -2.285 -0.735 0.00 0.00 +0.038 C BRANCH 17 19 ATOM 19 N LIG 1 3.819 -1.201 0.618 0.00 0.00 -0.304 N ATOM 20 H LIG 1 3.756 -1.223 1.634 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 5.035 -1.264 -0.010 0.00 0.00 +0.211 C ATOM 22 O LIG 1 5.173 -1.150 -1.223 0.00 0.00 -0.276 OA ATOM 23 C LIG 1 6.201 -1.483 0.912 0.00 0.00 +0.109 C ENDBRANCH 17 19 ENDBRANCH 15 17 ENDBRANCH 1 13 BRANCH 1 24 ATOM 24 C LIG 1 -0.548 2.083 1.258 0.00 0.00 +0.032 C BRANCH 24 25 ATOM 25 C LIG 1 -0.549 2.849 -0.071 0.00 0.00 +0.002 C BRANCH 25 27 ATOM 26 C LIG 1 -1.378 5.080 0.858 0.00 0.00 +0.004 C ATOM 27 C LIG 1 -0.284 4.347 0.095 0.00 0.00 -0.003 C ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9