REMARK Name = BDB026380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.775 -1.704 -0.631 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -3.365 -1.236 -0.407 0.00 0.00 -0.048 A ATOM 3 C LIG 1 -3.092 0.134 -0.268 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.775 0.510 -0.099 0.00 0.00 +0.070 A ATOM 5 N LIG 1 -1.220 1.785 0.057 0.00 0.00 -0.295 N ATOM 6 C LIG 1 0.179 1.667 0.160 0.00 0.00 +0.331 A ATOM 7 N LIG 1 0.468 0.284 0.111 0.00 0.00 -0.280 N ATOM 8 O LIG 1 0.989 2.575 0.269 0.00 0.00 -0.246 OA ATOM 9 C LIG 1 -1.952 3.017 0.024 0.00 0.00 +0.154 C ATOM 10 C LIG 1 -0.733 -0.420 -0.073 0.00 0.00 +0.071 A ATOM 11 C LIG 1 -0.974 -1.770 -0.225 0.00 0.00 +0.028 A ATOM 12 C LIG 1 -2.304 -2.173 -0.397 0.00 0.00 +0.005 A ENDROOT BRANCH 7 13 ATOM 13 C LIG 1 1.799 -0.282 0.126 0.00 0.00 +0.179 C ATOM 14 C LIG 1 2.531 0.046 -1.184 0.00 0.00 +0.242 C ATOM 15 O LIG 1 1.973 0.155 -2.274 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 3.905 0.099 -1.108 0.00 0.00 -0.255 N ATOM 17 H LIG 1 4.385 0.284 -1.978 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 4.704 -0.166 -0.024 0.00 0.00 +0.219 C ATOM 19 O LIG 1 5.926 -0.210 -0.132 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 3.999 -0.488 1.273 0.00 0.00 +0.099 C ATOM 21 C LIG 1 2.627 0.164 1.332 0.00 0.00 +0.044 C ENDBRANCH 7 13 TORSDOF 1