REMARK Name = BDB009395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.311 -0.489 -0.597 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.995 -0.352 -1.946 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.132 0.262 -2.333 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.841 -0.869 -2.922 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.025 -1.510 -2.548 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.381 -1.621 -1.194 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.507 -1.112 -0.219 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 5.558 -2.094 -0.003 0.00 0.00 -0.226 OA ATOM 9 C LIG 1 5.058 -1.199 0.670 0.00 0.00 +0.403 C ATOM 10 N LIG 1 3.708 -0.885 0.644 0.00 0.00 -0.264 N ATOM 11 C LIG 1 3.199 0.369 1.207 0.00 0.00 +0.130 C ATOM 12 C LIG 1 1.713 0.288 1.576 0.00 0.00 +0.127 C ATOM 13 N LIG 1 0.900 -0.293 0.505 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -0.441 0.082 0.446 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.955 0.877 1.231 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 1.409 -1.569 -0.015 0.00 0.00 +0.127 C ATOM 17 C LIG 1 2.888 -1.483 -0.406 0.00 0.00 +0.130 C BRANCH 9 18 ATOM 18 O LIG 1 5.755 -0.411 1.528 0.00 0.00 -0.445 OA BRANCH 18 19 ATOM 19 C LIG 1 7.168 -0.639 1.585 0.00 0.00 +0.269 C BRANCH 19 20 ATOM 20 C LIG 1 7.873 0.367 0.713 0.00 0.00 -0.010 A ATOM 21 C LIG 1 8.236 0.036 -0.600 0.00 0.00 +0.007 A ATOM 22 C LIG 1 8.870 0.973 -1.416 0.00 0.00 +0.000 A ATOM 23 C LIG 1 9.141 2.252 -0.930 0.00 0.00 +0.000 A ATOM 24 C LIG 1 8.773 2.595 0.369 0.00 0.00 +0.000 A ATOM 25 C LIG 1 8.137 1.659 1.187 0.00 0.00 +0.007 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 -4.662 -2.326 -0.805 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 -5.461 -1.619 0.283 0.00 0.00 +0.087 A ATOM 28 C LIG 1 -6.155 -0.323 -0.039 0.00 0.00 +0.059 A ATOM 29 N LIG 1 -6.110 0.244 -1.305 0.00 0.00 -0.342 N ATOM 30 H LIG 1 -5.849 -0.371 -2.068 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 -6.982 1.353 -1.664 0.00 0.00 +0.102 C ATOM 32 C LIG 1 -7.093 2.312 -0.481 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -7.527 1.576 0.794 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -6.816 0.262 0.972 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -6.868 -0.377 2.305 0.00 0.00 +0.270 A ATOM 36 O LIG 1 -7.490 0.123 3.237 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -6.194 -1.562 2.431 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -6.212 -2.011 3.341 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -5.491 -2.192 1.451 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 6