REMARK Name = BDB014348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.077 0.471 0.472 0.00 0.00 -0.343 N ATOM 2 C LIG 1 -0.936 -0.357 -0.226 0.00 0.00 +0.094 A ATOM 3 C LIG 1 -2.031 0.434 -0.581 0.00 0.00 +0.097 A ATOM 4 N LIG 1 -3.070 -0.015 -1.313 0.00 0.00 -0.223 NA ATOM 5 C LIG 1 -2.962 -1.298 -1.665 0.00 0.00 +0.200 A ATOM 6 N LIG 1 -1.962 -2.154 -1.365 0.00 0.00 -0.222 NA ATOM 7 C LIG 1 -1.862 1.732 -0.034 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -0.928 -1.697 -0.622 0.00 0.00 +0.100 A ATOM 9 C LIG 1 -0.642 1.719 0.612 0.00 0.00 +0.092 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.061 -1.867 -2.478 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.013 -3.162 -2.830 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.298 -3.831 -2.601 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.114 -3.410 -3.551 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.420 -4.483 -4.046 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.844 -2.250 -3.642 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.111 -1.254 -2.919 0.00 0.00 -0.051 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 0.085 -2.683 -0.290 0.00 0.00 +0.022 A ATOM 18 C LIG 1 0.153 -3.273 0.979 0.00 0.00 +0.033 A ATOM 19 C LIG 1 1.125 -4.234 1.245 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 1.239 -4.951 2.799 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 2.000 -4.590 0.230 0.00 0.00 +0.130 A ATOM 22 N LIG 1 1.960 -4.056 -1.013 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 0.997 -3.131 -1.245 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 1.232 0.144 1.024 0.00 0.00 +0.125 C BRANCH 24 29 ATOM 25 C LIG 1 6.116 1.791 -0.990 0.00 0.00 +0.007 C ATOM 26 C LIG 1 5.199 1.270 0.117 0.00 0.00 -0.014 C ATOM 27 C LIG 1 4.880 -0.217 -0.115 0.00 0.00 +0.003 C ATOM 28 C LIG 1 3.584 -0.618 0.576 0.00 0.00 +0.005 C ATOM 29 C LIG 1 2.370 0.127 -0.016 0.00 0.00 +0.009 C ATOM 30 C LIG 1 2.750 1.537 -0.518 0.00 0.00 +0.005 C ATOM 31 C LIG 1 3.928 2.130 0.248 0.00 0.00 +0.003 C ENDBRANCH 24 29 ENDBRANCH 1 24 BRANCH 7 32 ATOM 32 C LIG 1 -2.815 2.874 -0.156 0.00 0.00 +0.075 C BRANCH 32 33 ATOM 33 C LIG 1 -3.679 2.827 1.074 0.00 0.00 -0.025 A ATOM 34 C LIG 1 -4.815 2.022 1.125 0.00 0.00 +0.114 A ATOM 35 N LIG 1 -5.632 1.927 2.200 0.00 0.00 -0.263 NA ATOM 36 C LIG 1 -5.304 2.669 3.278 0.00 0.00 +0.111 A ATOM 37 C LIG 1 -4.197 3.499 3.334 0.00 0.00 +0.020 A ATOM 38 C LIG 1 -3.374 3.577 2.215 0.00 0.00 +0.007 A ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 6