REMARK Name = BDB032782 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.245 -0.636 0.391 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -3.362 -0.092 -0.532 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -3.302 1.059 -0.916 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.492 -1.185 -0.981 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -2.832 -2.331 -0.265 0.00 0.00 -0.018 A ATOM 6 C LIG 1 -2.158 -3.518 -0.488 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -1.140 -3.527 -1.450 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -0.803 -2.363 -2.182 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -1.488 -1.165 -1.931 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -3.929 -2.025 0.700 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -7.316 1.167 4.559 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -6.677 0.962 3.531 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -5.312 1.097 3.506 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -4.894 1.281 4.409 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -4.468 0.504 2.595 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -3.310 0.236 2.906 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -5.098 0.201 1.225 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.480 -0.408 1.444 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -7.341 0.569 2.231 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 0.316 -2.399 -3.191 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 1.574 -2.346 -2.508 0.00 0.00 -0.445 OA BRANCH 21 22 ATOM 22 C LIG 1 2.148 -1.116 -2.426 0.00 0.00 +0.405 C ATOM 23 N LIG 1 3.306 -1.243 -1.712 0.00 0.00 -0.251 N ATOM 24 H LIG 1 3.487 -2.188 -1.404 0.00 0.00 +0.158 HD ATOM 25 O LIG 1 1.679 -0.104 -2.922 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 4.223 -0.244 -1.349 0.00 0.00 +0.036 A ATOM 27 C LIG 1 5.343 -0.637 -0.611 0.00 0.00 +0.024 A ATOM 28 C LIG 1 6.298 0.304 -0.207 0.00 0.00 +0.006 A ATOM 29 C LIG 1 6.161 1.664 -0.516 0.00 0.00 -0.038 A ATOM 30 C LIG 1 5.036 2.038 -1.267 0.00 0.00 +0.006 A ATOM 31 C LIG 1 4.078 1.101 -1.678 0.00 0.00 +0.024 A BRANCH 29 32 ATOM 32 C LIG 1 7.187 2.686 -0.093 0.00 0.00 +0.094 C ATOM 33 C LIG 1 7.679 2.769 1.312 0.00 0.00 +0.256 C ATOM 34 F LIG 1 7.263 1.887 2.283 0.00 0.00 -0.205 F ATOM 35 F LIG 1 8.998 3.068 1.567 0.00 0.00 -0.205 F ATOM 36 C LIG 1 6.764 3.824 0.826 0.00 0.00 +0.090 C ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 6