REMARK Name = BDB001768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.245 -1.782 -0.505 0.00 0.00 +0.044 A ATOM 2 C LIG 1 1.357 -1.246 0.183 0.00 0.00 -0.006 A ATOM 3 C LIG 1 2.280 -2.154 0.743 0.00 0.00 +0.009 A ATOM 4 C LIG 1 2.116 -3.536 0.615 0.00 0.00 +0.001 A ATOM 5 C LIG 1 1.028 -4.046 -0.084 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.099 -3.174 -0.645 0.00 0.00 +0.013 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 1.627 0.197 0.309 0.00 0.00 -0.017 A ATOM 8 C LIG 1 1.834 0.997 -0.827 0.00 0.00 +0.008 A ATOM 9 C LIG 1 2.082 2.366 -0.704 0.00 0.00 +0.001 A ATOM 10 C LIG 1 2.132 2.957 0.556 0.00 0.00 +0.000 A ATOM 11 C LIG 1 1.937 2.179 1.695 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.688 0.810 1.573 0.00 0.00 +0.008 A ENDBRANCH 2 7 BRANCH 1 15 ATOM 13 N LIG 1 -1.318 0.080 -0.358 0.00 0.00 -0.309 N ATOM 14 H LIG 1 -0.991 0.179 0.594 0.00 0.00 +0.149 HD ATOM 15 C LIG 1 -0.829 -0.956 -1.123 0.00 0.00 +0.245 C ATOM 16 O LIG 1 -1.261 -1.250 -2.232 0.00 0.00 -0.270 OA BRANCH 13 18 ATOM 17 C LIG 1 -3.759 0.251 -0.455 0.00 0.00 +0.027 C ATOM 18 C LIG 1 -2.426 0.912 -0.797 0.00 0.00 +0.067 C ATOM 19 C LIG 1 -2.325 2.294 -0.159 0.00 0.00 +0.027 C ENDBRANCH 13 18 ENDBRANCH 1 15 TORSDOF 3