REMARK Name = BDB002193 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.518 0.225 0.687 0.00 0.00 -0.008 A ATOM 2 C LIG 1 0.257 -0.118 1.059 0.00 0.00 +0.119 A ATOM 3 CL LIG 1 -0.040 -0.743 2.654 0.00 0.00 -0.063 Cl ATOM 4 N LIG 1 -0.808 0.013 0.144 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -0.616 0.488 -1.154 0.00 0.00 +0.158 A ATOM 6 N LIG 1 -1.736 0.520 -1.841 0.00 0.00 -0.226 NA ATOM 7 C LIG 1 -2.702 0.066 -0.995 0.00 0.00 +0.090 A ATOM 8 C LIG 1 -4.075 -0.090 -1.248 0.00 0.00 +0.030 A ATOM 9 C LIG 1 -4.903 -0.574 -0.233 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -4.372 -0.896 1.012 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -3.005 -0.747 1.280 0.00 0.00 +0.028 A ATOM 12 C LIG 1 0.700 0.865 -1.559 0.00 0.00 +0.098 A ATOM 13 C LIG 1 -2.174 -0.261 0.254 0.00 0.00 +0.075 A ATOM 14 C LIG 1 1.738 0.751 -0.690 0.00 0.00 -0.024 A ATOM 15 C LIG 1 3.148 1.155 -1.074 0.00 0.00 +0.045 C ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 3.389 -1.256 1.539 0.00 0.00 +0.009 C ATOM 17 C LIG 1 2.713 0.108 1.626 0.00 0.00 +0.035 C ENDBRANCH 1 17 BRANCH 12 18 ATOM 18 C LIG 1 0.871 1.368 -2.888 0.00 0.00 +0.103 C ATOM 19 N LIG 1 1.064 1.784 -3.955 0.00 0.00 -0.191 NA ENDBRANCH 12 18 TORSDOF 2