REMARK Name = BDB025060 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.266 -0.619 0.330 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.074 -1.256 -0.064 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.190 -2.717 -0.225 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.312 -3.411 1.143 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.066 -3.325 -1.060 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.723 -2.950 -0.473 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.619 -1.456 -0.367 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.347 -0.841 -0.441 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.115 -1.431 -0.571 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.762 -0.453 -0.619 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.136 0.774 -0.489 0.00 0.00 -0.322 N ATOM 12 C LIG 1 1.222 0.541 -0.406 0.00 0.00 +0.070 A ATOM 13 C LIG 1 2.338 1.369 -0.321 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.595 0.752 -0.228 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.770 -0.642 -0.197 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.371 -1.155 0.249 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.797 2.079 -0.465 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -0.617 2.819 -1.795 0.00 0.00 +0.105 C ATOM 19 C LIG 1 -1.028 4.265 -1.622 0.00 0.00 +0.274 C ATOM 20 F LIG 1 -0.881 4.931 -2.791 0.00 0.00 -0.203 F ATOM 21 F LIG 1 -2.356 4.295 -1.321 0.00 0.00 -0.203 F ATOM 22 C LIG 1 -0.245 4.959 -0.506 0.00 0.00 +0.235 C ATOM 23 O LIG 1 0.420 4.041 0.380 0.00 0.00 -0.372 OA ATOM 24 C LIG 1 -0.421 2.946 0.756 0.00 0.00 +0.185 C ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 7.318 1.222 1.343 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.109 0.614 0.885 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.236 -0.669 -0.789 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -2.949 -0.800 0.567 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -4.459 -0.636 0.456 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -5.213 -1.366 -0.474 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.599 -1.203 -0.554 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -7.263 -0.317 0.303 0.00 0.00 +0.017 A ATOM 33 C LIG 1 -6.513 0.410 1.236 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -5.128 0.247 1.317 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -8.754 -0.120 0.195 0.00 0.00 +0.372 C ATOM 36 F LIG 1 -9.413 -1.241 -0.209 0.00 0.00 -0.204 F ATOM 37 F LIG 1 -9.332 0.244 1.374 0.00 0.00 -0.204 F ENDBRANCH 32 35 ENDBRANCH 28 29 BRANCH 28 38 ATOM 38 C LIG 1 -2.578 -2.089 1.277 0.00 0.00 +0.313 C ATOM 39 O LIG 1 -2.218 -2.173 2.442 0.00 0.00 -0.250 OA BRANCH 38 40 ATOM 40 O LIG 1 -2.729 -3.201 0.531 0.00 0.00 -0.480 OA ATOM 41 H LIG 1 -2.424 -3.921 1.123 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 28 38 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8