REMARK Name = BDB022247 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.312 1.392 0.549 0.00 0.00 +0.134 A ATOM 2 C LIG 1 0.097 1.232 0.106 0.00 0.00 +0.040 A ATOM 3 C LIG 1 0.787 2.393 -0.234 0.00 0.00 +0.057 A ATOM 4 C LIG 1 2.112 2.277 -0.671 0.00 0.00 +0.028 A ATOM 5 C LIG 1 2.735 1.025 -0.747 0.00 0.00 +0.025 A ATOM 6 C LIG 1 2.055 -0.141 -0.393 0.00 0.00 +0.032 A ATOM 7 N LIG 1 0.130 3.640 -0.110 0.00 0.00 -0.295 N ATOM 8 C LIG 1 0.826 4.872 -0.444 0.00 0.00 +0.154 C ATOM 9 C LIG 1 -1.176 3.719 0.373 0.00 0.00 +0.350 A ATOM 10 O LIG 1 -1.731 4.806 0.524 0.00 0.00 -0.244 OA ATOM 11 C LIG 1 0.730 -0.021 0.045 0.00 0.00 +0.036 A ATOM 12 N LIG 1 -1.850 2.564 0.670 0.00 0.00 -0.178 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -2.062 0.272 0.837 0.00 0.00 -0.319 N ATOM 14 H LIG 1 -1.812 -0.615 0.405 0.00 0.00 +0.148 HD BRANCH 13 16 ATOM 15 C LIG 1 -3.752 0.514 2.582 0.00 0.00 +0.036 C ATOM 16 C LIG 1 -3.511 0.320 1.087 0.00 0.00 +0.136 C BRANCH 16 17 ATOM 17 C LIG 1 -4.173 -0.979 0.611 0.00 0.00 +0.149 A ATOM 18 N LIG 1 -5.521 -1.040 0.598 0.00 0.00 -0.238 NA ATOM 19 C LIG 1 -6.069 -2.191 0.166 0.00 0.00 +0.114 A ATOM 20 C LIG 1 -5.333 -3.274 -0.250 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -3.969 -3.119 -0.204 0.00 0.00 +0.114 A ATOM 22 N LIG 1 -3.360 -1.993 0.216 0.00 0.00 -0.238 NA ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 1 13 BRANCH 6 23 ATOM 23 N LIG 1 2.647 -1.417 -0.398 0.00 0.00 -0.313 N ATOM 24 H LIG 1 2.005 -2.152 -0.692 0.00 0.00 +0.152 HD BRANCH 23 25 ATOM 25 C LIG 1 3.999 -1.831 -0.413 0.00 0.00 +0.054 A ATOM 26 C LIG 1 4.378 -3.016 -1.072 0.00 0.00 +0.099 A ATOM 27 CL LIG 1 3.173 -3.986 -1.855 0.00 0.00 -0.078 Cl ATOM 28 C LIG 1 5.725 -3.366 -1.070 0.00 0.00 +0.149 A ATOM 29 CL LIG 1 6.332 -4.782 -1.841 0.00 0.00 -0.060 Cl ATOM 30 N LIG 1 6.700 -2.645 -0.470 0.00 0.00 -0.242 NA ATOM 31 C LIG 1 6.312 -1.523 0.166 0.00 0.00 +0.114 A ATOM 32 C LIG 1 4.999 -1.084 0.220 0.00 0.00 +0.044 A ENDBRANCH 23 25 ENDBRANCH 6 23 TORSDOF 5