REMARK Name = BDB038925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.207 0.366 0.809 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.148 -0.445 0.440 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.817 0.148 0.460 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.747 -0.679 -0.206 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.017 -1.963 -0.735 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.006 -2.711 -1.359 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.697 -2.234 -1.455 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.440 -0.972 -0.912 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.705 -0.217 -0.791 0.00 0.00 -0.327 N ATOM 10 C LIG 1 -0.367 0.996 -0.223 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.895 0.978 0.155 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.420 -2.514 -0.674 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.425 -0.203 -0.304 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.220 -1.901 0.472 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.110 1.573 1.000 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.308 2.160 -0.038 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.926 2.995 1.196 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -1.849 4.200 1.364 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -1.876 5.064 0.107 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -2.241 4.247 -1.129 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.325 3.037 -1.299 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.492 0.486 1.310 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.375 -0.322 0.935 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.038 -0.672 -1.136 0.00 0.00 +0.132 C BRANCH 24 25 ATOM 25 C LIG 1 -2.632 -1.687 -0.128 0.00 0.00 +0.049 C BRANCH 25 26 ATOM 26 C LIG 1 -4.087 -1.953 -0.496 0.00 0.00 -0.042 A ATOM 27 C LIG 1 -4.464 -3.216 -0.977 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -5.789 -3.476 -1.328 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -6.755 -2.480 -1.202 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.396 -1.222 -0.722 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.072 -0.959 -0.370 0.00 0.00 +0.004 A ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 C LIG 1 -2.502 -1.270 1.352 0.00 0.00 +0.130 C BRANCH 32 33 ATOM 33 C LIG 1 -1.413 -2.057 2.042 0.00 0.00 +0.305 C ATOM 34 O LIG 1 -1.519 -3.248 2.303 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -0.306 -1.355 2.350 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -0.245 -0.439 2.010 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 25 32 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8