REMARK Name = BDB004770 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.417 -1.706 -1.396 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -1.354 -2.894 -0.430 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 2.298 -0.713 -1.571 0.00 0.00 +0.034 A ATOM 4 C LIG 1 1.037 -1.049 -1.073 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.033 -1.359 -1.936 0.00 0.00 -0.026 A ATOM 6 C LIG 1 0.188 -1.319 -3.320 0.00 0.00 +0.005 A ATOM 7 C LIG 1 1.446 -0.998 -3.826 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.496 -0.700 -2.956 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 3.413 -0.227 0.618 0.00 0.00 +0.250 C ATOM 10 N LIG 1 3.406 -0.391 -0.756 0.00 0.00 -0.281 N ATOM 11 H LIG 1 4.260 -0.179 -1.253 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 2.443 -0.256 1.366 0.00 0.00 -0.270 OA BRANCH 9 17 ATOM 13 C LIG 1 8.405 1.020 3.151 0.00 0.00 +0.065 C ATOM 14 C LIG 1 7.124 0.668 2.455 0.00 0.00 +0.038 A ATOM 15 N LIG 1 5.978 1.171 2.970 0.00 0.00 -0.259 NA ATOM 16 C LIG 1 4.816 0.845 2.349 0.00 0.00 +0.124 A ATOM 17 C LIG 1 4.744 0.053 1.212 0.00 0.00 +0.055 A ATOM 18 C LIG 1 5.935 -0.468 0.702 0.00 0.00 +0.016 A ATOM 19 C LIG 1 7.141 -0.154 1.330 0.00 0.00 +0.024 A ENDBRANCH 9 17 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 N LIG 1 -1.949 -0.509 -0.741 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -1.455 -0.311 0.123 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.337 -0.421 -0.541 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -3.876 0.721 0.090 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -5.274 0.745 0.270 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -5.830 1.869 0.916 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -5.023 2.938 1.353 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -3.652 2.914 1.155 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -6.035 -0.281 -0.172 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -5.422 -1.297 -0.790 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -3.085 1.815 0.526 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -4.113 -1.414 -0.999 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -7.295 2.020 1.184 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -7.751 3.023 1.726 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -8.133 1.011 0.813 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -7.776 0.191 0.330 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -9.125 1.116 0.964 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 6