REMARK Name = BDB032745 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 6.093 0.022 0.449 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.982 -0.232 -0.344 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.793 -1.157 -1.109 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 4.034 0.863 -0.110 0.00 0.00 +0.042 A ATOM 5 C LIG 1 4.635 1.781 0.748 0.00 0.00 -0.018 A ATOM 6 C LIG 1 3.954 2.919 1.137 0.00 0.00 +0.006 A ATOM 7 C LIG 1 2.655 3.113 0.646 0.00 0.00 +0.007 A ATOM 8 C LIG 1 2.053 2.183 -0.235 0.00 0.00 -0.010 A ATOM 9 C LIG 1 2.758 1.032 -0.615 0.00 0.00 +0.020 A ATOM 10 C LIG 1 6.014 1.329 1.089 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 10.259 -3.100 -1.355 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 9.344 -2.431 -0.884 0.00 0.00 +0.219 C ATOM 13 N LIG 1 9.018 -1.208 -1.414 0.00 0.00 -0.255 N ATOM 14 H LIG 1 9.551 -0.919 -2.223 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 8.132 -0.279 -0.916 0.00 0.00 +0.240 C ATOM 16 O LIG 1 8.069 0.845 -1.411 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 7.358 -0.696 0.345 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.211 -2.216 0.406 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.588 -2.858 0.352 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 0.649 2.408 -0.739 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 -0.226 1.585 0.037 0.00 0.00 -0.445 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.535 1.720 -0.291 0.00 0.00 +0.405 C ATOM 23 N LIG 1 -2.261 0.881 0.504 0.00 0.00 -0.248 N ATOM 24 H LIG 1 -1.702 0.340 1.151 0.00 0.00 +0.158 HD ATOM 25 O LIG 1 -1.955 2.472 -1.155 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.655 0.708 0.505 0.00 0.00 +0.073 A ATOM 27 C LIG 1 -4.238 -0.190 1.370 0.00 0.00 +0.139 A ATOM 28 N LIG 1 -5.565 -0.426 1.446 0.00 0.00 -0.221 NA ATOM 29 C LIG 1 -6.374 0.263 0.623 0.00 0.00 +0.218 A ATOM 30 N LIG 1 -5.893 1.161 -0.254 0.00 0.00 -0.221 NA ATOM 31 C LIG 1 -4.556 1.366 -0.299 0.00 0.00 +0.139 A BRANCH 29 32 ATOM 32 N LIG 1 -7.747 0.058 0.697 0.00 0.00 -0.300 N ATOM 33 C LIG 1 -8.535 0.489 -0.458 0.00 0.00 +0.108 C ATOM 34 C LIG 1 -8.517 -0.590 -1.544 0.00 0.00 +0.019 C ATOM 35 C LIG 1 -8.959 -1.944 -0.986 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -8.161 -2.324 0.264 0.00 0.00 +0.019 C ATOM 37 C LIG 1 -8.189 -1.198 1.302 0.00 0.00 +0.108 C ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 6