REMARK Name = BDB054878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.175 -2.166 0.040 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.089 -1.936 -0.815 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.837 -2.952 -1.107 0.00 0.00 -0.029 A ATOM 4 C LIG 1 0.665 -4.212 -0.524 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.415 -4.450 0.324 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.331 -3.432 0.604 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.183 -1.065 1.057 0.00 0.00 +0.249 C ATOM 8 N LIG 1 -2.049 -1.083 0.270 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -1.809 -0.220 -0.213 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -3.625 -1.997 1.720 0.00 0.00 -0.270 OA BRANCH 7 19 ATOM 11 C LIG 1 -3.711 1.145 -1.352 0.00 0.00 +0.146 A ATOM 12 C LIG 1 -4.049 1.110 0.031 0.00 0.00 +0.053 A ATOM 13 C LIG 1 -4.720 2.317 0.238 0.00 0.00 +0.068 A ATOM 14 C LIG 1 -5.269 2.699 1.467 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -5.136 1.807 2.532 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -4.466 0.596 2.370 0.00 0.00 +0.014 A ATOM 17 N LIG 1 -4.697 2.959 -0.971 0.00 0.00 -0.275 N ATOM 18 H LIG 1 -5.085 3.869 -1.196 0.00 0.00 +0.189 HD ATOM 19 C LIG 1 -3.898 0.235 1.131 0.00 0.00 +0.049 A ATOM 20 N LIG 1 -4.091 2.271 -1.946 0.00 0.00 -0.158 NA BRANCH 11 21 ATOM 21 N LIG 1 -3.074 0.174 -2.027 0.00 0.00 -0.341 N ATOM 22 H LIG 1 -3.242 -0.795 -1.765 0.00 0.00 +0.144 HD ATOM 23 H LIG 1 -3.101 0.287 -3.038 0.00 0.00 +0.144 HD ENDBRANCH 11 21 ENDBRANCH 7 19 ENDBRANCH 1 8 BRANCH 3 24 ATOM 24 C LIG 1 2.018 -2.670 -2.001 0.00 0.00 +0.141 C BRANCH 24 25 ATOM 25 N LIG 1 3.077 -2.012 -1.264 0.00 0.00 -0.295 N ATOM 26 H LIG 1 3.346 -2.465 -0.405 0.00 0.00 +0.151 HD ATOM 27 C LIG 1 3.196 -0.637 -1.283 0.00 0.00 +0.304 C ATOM 28 N LIG 1 4.217 -0.227 -0.452 0.00 0.00 -0.269 N ATOM 29 H LIG 1 4.826 -0.962 -0.126 0.00 0.00 +0.156 HD ATOM 30 O LIG 1 2.486 0.080 -1.974 0.00 0.00 -0.252 OA BRANCH 28 31 ATOM 31 C LIG 1 4.597 1.095 -0.146 0.00 0.00 +0.038 A ATOM 32 C LIG 1 5.756 1.267 0.620 0.00 0.00 +0.064 A ATOM 33 C LIG 1 6.182 2.549 0.963 0.00 0.00 +0.160 A ATOM 34 F LIG 1 7.295 2.693 1.695 0.00 0.00 -0.202 F ATOM 35 C LIG 1 5.464 3.664 0.555 0.00 0.00 +0.159 A ATOM 36 F LIG 1 5.877 4.894 0.889 0.00 0.00 -0.202 F ATOM 37 C LIG 1 4.310 3.511 -0.200 0.00 0.00 +0.043 A ATOM 38 C LIG 1 3.875 2.226 -0.549 0.00 0.00 +0.026 A ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 6