REMARK Name = BDB026714 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -5.923 1.320 1.462 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 -4.886 0.901 0.955 0.00 0.00 +0.219 C ATOM 3 N LIG 1 -4.178 -0.119 1.520 0.00 0.00 -0.270 N ATOM 4 H LIG 1 -4.562 -0.575 2.336 0.00 0.00 +0.156 HD ATOM 5 C LIG 1 -2.966 -0.597 1.046 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -2.304 0.100 0.036 0.00 0.00 -0.006 A ATOM 7 C LIG 1 -1.071 -0.387 -0.402 0.00 0.00 +0.021 A ATOM 8 C LIG 1 -0.552 -1.541 0.187 0.00 0.00 +0.056 A ATOM 9 C LIG 1 -1.300 -2.179 1.166 0.00 0.00 +0.126 A ATOM 10 C LIG 1 -2.869 1.395 -0.465 0.00 0.00 +0.048 C ATOM 11 N LIG 1 -2.487 -1.714 1.626 0.00 0.00 -0.239 NA ATOM 12 C LIG 1 -4.387 1.403 -0.382 0.00 0.00 +0.101 C ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 0.719 -2.138 -0.249 0.00 0.00 +0.252 C ATOM 14 N LIG 1 1.849 -1.353 -0.381 0.00 0.00 -0.267 N ATOM 15 C LIG 1 2.220 -0.147 0.244 0.00 0.00 +0.040 A ATOM 16 C LIG 1 3.461 0.269 -0.251 0.00 0.00 -0.024 A ATOM 17 C LIG 1 4.068 1.435 0.192 0.00 0.00 +0.005 A ATOM 18 C LIG 1 3.424 2.180 1.178 0.00 0.00 +0.000 A ATOM 19 C LIG 1 2.198 1.750 1.706 0.00 0.00 +0.002 A ATOM 20 C LIG 1 3.971 -0.675 -1.294 0.00 0.00 +0.056 C ATOM 21 C LIG 1 1.592 0.576 1.245 0.00 0.00 +0.024 A ATOM 22 C LIG 1 3.014 -1.857 -1.121 0.00 0.00 +0.118 C ATOM 23 O LIG 1 0.697 -3.330 -0.556 0.00 0.00 -0.270 OA ENDBRANCH 8 13 TORSDOF 1