REMARK Name = BDB035387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.223 1.853 -0.357 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.337 0.721 0.243 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.180 -0.288 0.690 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.788 0.939 0.297 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.771 0.093 0.780 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.100 0.533 0.721 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.391 1.806 0.170 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.378 2.655 -0.315 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.068 2.190 -0.239 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.795 2.849 -0.664 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.934 1.224 -0.698 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.549 1.047 -0.471 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.600 2.068 -0.635 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.056 3.313 -1.083 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.413 3.532 -1.320 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.333 2.505 -1.120 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -5.794 -1.722 -1.550 0.00 0.00 +0.069 C ATOM 18 C LIG 1 -4.554 -1.436 -0.665 0.00 0.00 +0.054 C ATOM 19 C LIG 1 -5.008 0.045 -0.470 0.00 0.00 +0.061 C ATOM 20 C LIG 1 -6.010 -0.191 -1.652 0.00 0.00 +0.054 C ATOM 21 C LIG 1 -6.946 -2.452 -0.863 0.00 0.00 +0.041 C BRANCH 19 22 ATOM 22 C LIG 1 -5.734 0.277 0.926 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -5.180 0.247 2.178 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -3.812 0.009 2.549 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -6.197 0.512 3.044 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -7.309 0.698 2.374 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -7.016 0.560 1.039 0.00 0.00 -0.134 NA ENDBRANCH 19 22 BRANCH 17 29 ATOM 28 C LIG 1 -5.013 -3.668 -2.844 0.00 0.00 +0.194 C ATOM 29 O LIG 1 -5.507 -2.336 -2.837 0.00 0.00 -0.377 OA ENDBRANCH 17 29 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.690 4.003 -0.905 0.00 0.00 +0.418 C ATOM 31 F LIG 1 4.999 4.359 -0.812 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.370 4.071 -2.227 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.984 5.002 -0.304 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.227 -0.352 1.217 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.006 -0.843 0.084 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.366 -1.290 -0.573 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.202 -1.660 0.363 0.00 0.00 +0.017 C ATOM 38 C LIG 1 6.906 -2.840 1.314 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.549 -2.046 2.470 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.120 -1.047 1.442 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.901 -2.029 -0.937 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8