REMARK Name = BDB034976 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.489 -1.176 -1.928 0.00 0.00 +0.046 C ATOM 2 C LIG 1 3.131 -0.239 -0.809 0.00 0.00 -0.020 A ATOM 3 C LIG 1 1.841 -0.237 -0.279 0.00 0.00 +0.092 A ATOM 4 C LIG 1 1.601 0.667 0.781 0.00 0.00 +0.095 A ATOM 5 C LIG 1 0.325 0.682 1.322 0.00 0.00 +0.077 A ATOM 6 C LIG 1 -0.672 -0.151 0.826 0.00 0.00 +0.149 A ATOM 7 C LIG 1 -0.340 -1.018 -0.200 0.00 0.00 +0.157 A ATOM 8 N LIG 1 2.529 1.505 1.284 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 3.756 1.479 0.747 0.00 0.00 +0.117 A ATOM 10 N LIG 1 0.888 -1.067 -0.764 0.00 0.00 -0.250 NA ATOM 11 C LIG 1 4.100 0.626 -0.286 0.00 0.00 +0.048 A ENDROOT BRANCH 9 12 ATOM 12 N LIG 1 4.699 2.334 1.305 0.00 0.00 -0.343 N ATOM 13 H LIG 1 5.146 2.915 0.606 0.00 0.00 +0.144 HD ATOM 14 H LIG 1 4.223 2.889 2.012 0.00 0.00 +0.144 HD ENDBRANCH 9 12 BRANCH 6 15 ATOM 15 O LIG 1 -1.901 -0.091 1.435 0.00 0.00 -0.453 OA BRANCH 15 16 ATOM 16 C LIG 1 -3.007 -0.260 0.632 0.00 0.00 +0.147 A ATOM 17 C LIG 1 -3.902 -1.302 0.898 0.00 0.00 +0.083 A ATOM 18 CL LIG 1 -3.618 -2.427 2.173 0.00 0.00 -0.080 Cl ATOM 19 C LIG 1 -5.045 -1.455 0.110 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -5.301 -0.559 -0.931 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.420 0.493 -1.181 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -3.276 0.650 -0.397 0.00 0.00 +0.048 A ENDBRANCH 15 16 ENDBRANCH 6 15 TORSDOF 3