REMARK Name = BDB012480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 1.436 3.067 3.670 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 1.150 2.607 2.565 0.00 0.00 +0.250 C ATOM 3 C LIG 1 0.197 3.340 1.699 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -0.952 2.688 1.244 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.809 3.299 0.319 0.00 0.00 -0.025 A ATOM 6 C LIG 1 -1.540 4.619 -0.067 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.432 5.302 0.454 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -2.972 2.520 -0.261 0.00 0.00 +0.182 C ATOM 9 N LIG 1 -2.542 1.329 -0.997 0.00 0.00 -0.223 N ATOM 10 N LIG 1 -2.153 0.247 -0.232 0.00 0.00 -0.153 NA ATOM 11 C LIG 1 -1.647 -0.807 -0.812 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -1.534 -0.900 -2.288 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -1.898 0.155 -3.016 0.00 0.00 +0.075 A ATOM 14 N LIG 1 -1.175 -1.855 -0.018 0.00 0.00 -0.313 N ATOM 15 C LIG 1 -0.806 -1.543 1.369 0.00 0.00 +0.112 C ATOM 16 C LIG 1 0.151 -2.599 1.929 0.00 0.00 +0.037 C ATOM 17 C LIG 1 -0.538 -3.987 1.883 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -1.819 -4.012 1.047 0.00 0.00 +0.019 C ATOM 19 C LIG 1 1.546 -2.664 1.249 0.00 0.00 +0.139 C ATOM 20 C LIG 1 2.477 -1.427 1.348 0.00 0.00 +0.156 C ATOM 21 N LIG 1 2.201 -0.292 0.488 0.00 0.00 -0.309 N ATOM 22 C LIG 1 1.768 0.966 0.870 0.00 0.00 +0.203 A ATOM 23 N LIG 1 1.524 1.704 -0.188 0.00 0.00 -0.214 NA ATOM 24 C LIG 1 1.902 0.971 -1.273 0.00 0.00 +0.091 A ATOM 25 C LIG 1 1.875 1.318 -2.631 0.00 0.00 +0.030 A ATOM 26 C LIG 1 2.371 0.406 -3.569 0.00 0.00 +0.002 A ATOM 27 C LIG 1 2.890 -0.822 -3.158 0.00 0.00 +0.002 A ATOM 28 C LIG 1 2.916 -1.184 -1.806 0.00 0.00 +0.028 A ATOM 29 C LIG 1 2.392 -0.269 -0.883 0.00 0.00 +0.070 A ATOM 30 C LIG 1 -1.700 -3.212 -0.249 0.00 0.00 +0.106 C ATOM 31 C LIG 1 -2.415 1.379 -2.374 0.00 0.00 +0.268 A ATOM 32 O LIG 1 -2.713 2.338 -3.083 0.00 0.00 -0.266 OA ATOM 33 C LIG 1 0.441 4.663 1.337 0.00 0.00 +0.013 A ATOM 34 N LIG 1 1.639 1.372 2.182 0.00 0.00 -0.252 N ATOM 35 H LIG 1 2.156 0.895 2.903 0.00 0.00 +0.158 HD ENDROOT BRANCH 19 36 ATOM 36 O LIG 1 1.437 -3.141 -0.089 0.00 0.00 -0.390 OA ATOM 37 H LIG 1 0.832 -2.526 -0.553 0.00 0.00 +0.210 HD ENDBRANCH 19 36 TORSDOF 1