REMARK Name = BDB013711 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.613 0.059 0.727 0.00 0.00 +0.240 A ATOM 2 C LIG 1 -1.617 0.890 0.059 0.00 0.00 +0.050 A ATOM 3 C LIG 1 -2.826 0.274 -0.243 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -3.843 1.001 -0.877 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -3.639 2.341 -1.208 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.423 2.957 -0.909 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.025 -1.147 0.105 0.00 0.00 +0.275 A ATOM 8 O LIG 1 -4.105 -1.679 -0.140 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 -1.946 -1.801 0.700 0.00 0.00 -0.229 N ATOM 10 C LIG 1 -2.067 -3.192 1.095 0.00 0.00 +0.176 C ATOM 11 C LIG 1 -1.409 2.234 -0.276 0.00 0.00 +0.014 A ATOM 12 N LIG 1 -0.758 -1.190 1.031 0.00 0.00 -0.130 NA ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 0.506 0.765 1.010 0.00 0.00 -0.474 OA BRANCH 13 14 ATOM 14 C LIG 1 1.637 0.048 1.544 0.00 0.00 +0.246 C BRANCH 14 15 ATOM 15 C LIG 1 2.414 -0.694 0.439 0.00 0.00 +0.125 C BRANCH 15 17 ATOM 16 C LIG 1 3.424 -0.670 -1.750 0.00 0.00 +0.104 C ATOM 17 N LIG 1 2.884 0.163 -0.672 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 3.891 1.129 -0.236 0.00 0.00 +0.104 C ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 4