REMARK Name = BDB009367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.258 -0.338 -0.337 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.843 -0.205 -1.659 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.299 0.426 -1.965 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.606 -0.742 -2.691 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.805 -1.398 -2.400 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.259 -1.506 -1.075 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.468 -0.979 -0.042 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -1.063 1.098 1.456 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.484 0.265 0.760 0.00 0.00 +0.249 C ATOM 10 N LIG 1 0.838 -0.124 0.963 0.00 0.00 -0.295 N ATOM 11 C LIG 1 1.539 0.456 2.110 0.00 0.00 +0.123 C ATOM 12 C LIG 1 3.067 0.459 1.921 0.00 0.00 +0.103 C ATOM 13 N LIG 1 3.583 -0.876 1.562 0.00 0.00 -0.296 NA ATOM 14 C LIG 1 2.914 -1.365 0.344 0.00 0.00 +0.103 C ATOM 15 C LIG 1 1.383 -1.412 0.513 0.00 0.00 +0.123 C BRANCH 13 16 ATOM 16 C LIG 1 5.051 -0.919 1.470 0.00 0.00 +0.125 C BRANCH 16 17 ATOM 17 C LIG 1 5.739 -0.040 0.410 0.00 0.00 +0.244 C BRANCH 17 18 ATOM 18 O LIG 1 7.149 -0.269 0.496 0.00 0.00 -0.491 OA BRANCH 18 19 ATOM 19 C LIG 1 7.946 0.425 -0.372 0.00 0.00 +0.121 A ATOM 20 C LIG 1 9.312 0.158 -0.249 0.00 0.00 +0.045 A ATOM 21 C LIG 1 10.240 0.798 -1.074 0.00 0.00 +0.004 A ATOM 22 C LIG 1 9.804 1.712 -2.029 0.00 0.00 +0.000 A ATOM 23 C LIG 1 8.443 1.984 -2.157 0.00 0.00 +0.004 A ATOM 24 C LIG 1 7.514 1.343 -1.331 0.00 0.00 +0.045 A ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 25 ATOM 25 C LIG 1 -4.556 -2.227 -0.779 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 -5.431 -1.543 0.267 0.00 0.00 +0.069 A ATOM 27 C LIG 1 -6.130 -0.262 -0.070 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -6.015 0.347 -1.439 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -7.051 1.445 -1.702 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -7.176 2.378 -0.504 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -7.590 1.607 0.751 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -6.858 0.303 0.909 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -6.966 -0.358 2.234 0.00 0.00 +0.268 A ATOM 34 O LIG 1 -7.645 0.115 3.140 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -6.274 -1.530 2.376 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -6.330 -1.994 3.277 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -5.510 -2.129 1.425 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 7