REMARK Name = BDB017208 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.654 -1.742 2.244 0.00 0.00 -0.292 OA ATOM 2 C LIG 1 0.463 -1.318 1.104 0.00 0.00 +0.170 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -0.899 -1.451 0.433 0.00 0.00 +0.074 C ATOM 4 C LIG 1 -1.723 -0.192 0.725 0.00 0.00 +0.095 C ATOM 5 N LIG 1 -3.051 -0.265 0.088 0.00 0.00 -0.301 NA ATOM 6 C LIG 1 -3.801 -1.431 0.589 0.00 0.00 +0.084 C ATOM 7 C LIG 1 -3.046 -2.735 0.322 0.00 0.00 +0.016 C ATOM 8 C LIG 1 -1.644 -2.699 0.916 0.00 0.00 +0.014 C BRANCH 5 9 ATOM 9 C LIG 1 -3.785 0.991 0.317 0.00 0.00 +0.088 C BRANCH 9 10 ATOM 10 C LIG 1 -4.975 1.091 -0.594 0.00 0.00 +0.003 C ATOM 11 C LIG 1 -4.793 1.249 -2.084 0.00 0.00 +0.005 C ATOM 12 C LIG 1 -5.316 2.398 -1.268 0.00 0.00 +0.005 C ENDBRANCH 9 10 ENDBRANCH 5 9 ENDBRANCH 2 3 BRANCH 2 13 ATOM 13 C LIG 1 1.537 -0.647 0.380 0.00 0.00 +0.056 A ATOM 14 C LIG 1 2.822 -0.450 0.848 0.00 0.00 +0.125 A ATOM 15 N LIG 1 3.528 0.221 -0.126 0.00 0.00 -0.239 N ATOM 16 N LIG 1 2.743 0.468 -1.207 0.00 0.00 -0.174 NA ATOM 17 C LIG 1 1.558 -0.055 -0.896 0.00 0.00 +0.146 A BRANCH 15 18 ATOM 18 C LIG 1 4.888 0.640 -0.095 0.00 0.00 +0.065 A ATOM 19 C LIG 1 5.702 0.388 1.018 0.00 0.00 +0.028 A ATOM 20 C LIG 1 7.035 0.811 1.021 0.00 0.00 +0.002 A ATOM 21 C LIG 1 7.561 1.485 -0.080 0.00 0.00 +0.000 A ATOM 22 C LIG 1 6.757 1.739 -1.190 0.00 0.00 +0.002 A ATOM 23 C LIG 1 5.425 1.319 -1.200 0.00 0.00 +0.028 A ENDBRANCH 15 18 ENDBRANCH 2 13 TORSDOF 5