REMARK Name = BDB006216 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.603 -0.700 0.166 0.00 0.00 -0.253 N ATOM 2 C LIG 1 -0.862 -0.010 -0.941 0.00 0.00 +0.146 C ATOM 3 C LIG 1 0.556 -0.269 -0.585 0.00 0.00 +0.031 A ATOM 4 C LIG 1 0.612 -0.953 0.618 0.00 0.00 +0.154 A ATOM 5 N LIG 1 1.843 -1.207 1.031 0.00 0.00 -0.161 NA ATOM 6 N LIG 1 2.630 -0.745 0.009 0.00 0.00 -0.232 N ATOM 7 C LIG 1 1.865 -0.110 -0.995 0.00 0.00 +0.054 A ATOM 8 C LIG 1 -0.706 -1.233 1.139 0.00 0.00 +0.272 C ATOM 9 O LIG 1 -0.953 -1.825 2.178 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 -5.054 -1.353 1.341 0.00 0.00 -0.312 N ATOM 11 C LIG 1 -5.873 -0.913 0.298 0.00 0.00 +0.270 A ATOM 12 O LIG 1 -7.101 -0.929 0.341 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 -5.140 -0.418 -0.907 0.00 0.00 +0.107 A ATOM 14 CL LIG 1 -6.057 0.083 -2.276 0.00 0.00 -0.078 Cl ATOM 15 C LIG 1 -3.800 -0.380 -0.922 0.00 0.00 +0.050 A ATOM 16 C LIG 1 -2.997 -0.799 0.219 0.00 0.00 +0.055 A ATOM 17 C LIG 1 -3.668 -1.273 1.288 0.00 0.00 +0.112 A BRANCH 10 19 ATOM 18 C LIG 1 -5.966 -0.717 3.550 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -5.689 -1.843 2.565 0.00 0.00 +0.121 C ENDBRANCH 10 19 ENDBRANCH 1 16 BRANCH 2 20 ATOM 20 C LIG 1 -1.063 1.496 -0.948 0.00 0.00 -0.022 A ATOM 21 C LIG 1 -1.425 2.140 -2.146 0.00 0.00 +0.007 A ATOM 22 C LIG 1 -1.642 3.520 -2.183 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -1.502 4.275 -1.022 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 -1.764 5.973 -1.070 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -1.150 3.661 0.176 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -0.935 2.280 0.215 0.00 0.00 +0.007 A ENDBRANCH 2 20 BRANCH 6 27 ATOM 27 C LIG 1 4.011 -1.077 0.007 0.00 0.00 +0.107 A ATOM 28 C LIG 1 4.780 -0.955 1.173 0.00 0.00 +0.145 A ATOM 29 C LIG 1 6.133 -1.311 1.158 0.00 0.00 +0.048 A ATOM 30 C LIG 1 6.709 -1.833 0.000 0.00 0.00 +0.004 A ATOM 31 C LIG 1 5.939 -1.991 -1.151 0.00 0.00 +0.002 A ATOM 32 C LIG 1 4.594 -1.617 -1.150 0.00 0.00 +0.031 A BRANCH 28 33 ATOM 33 O LIG 1 4.273 -0.349 2.293 0.00 0.00 -0.493 OA ATOM 34 C LIG 1 4.117 -1.292 3.355 0.00 0.00 +0.277 C ENDBRANCH 28 33 ENDBRANCH 6 27 BRANCH 7 35 ATOM 35 C LIG 1 2.462 0.629 -2.166 0.00 0.00 +0.032 C ATOM 36 C LIG 1 2.437 2.142 -1.941 0.00 0.00 +0.014 C ATOM 37 C LIG 1 1.782 0.250 -3.481 0.00 0.00 +0.014 C ENDBRANCH 7 35 TORSDOF 6