REMARK Name = BDB039065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.035 0.720 -2.001 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.086 -0.195 -1.583 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.782 0.329 -1.192 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.711 -0.716 -1.010 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.983 -2.098 -1.144 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.964 -3.049 -0.989 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.656 -2.674 -0.669 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.406 -1.307 -0.515 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.729 -0.587 -0.201 0.00 0.00 -0.327 N ATOM 10 C LIG 1 -0.403 0.753 -0.209 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.877 0.913 -0.486 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.373 -2.549 -1.519 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.392 -0.342 -0.681 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.430 -1.528 -1.106 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.803 1.907 -2.201 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.366 1.883 0.038 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -0.722 2.974 0.908 0.00 0.00 +0.026 C ATOM 18 C LIG 1 -1.711 4.105 1.238 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -2.739 4.357 0.128 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -2.210 3.949 -1.240 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.868 2.458 -1.300 0.00 0.00 +0.011 C BRANCH 18 22 ATOM 22 C LIG 1 -2.441 3.807 2.527 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -2.853 2.720 2.897 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -2.656 4.911 3.267 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -3.135 4.588 4.058 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.269 1.075 -2.608 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.265 0.160 -2.168 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -2.034 -1.178 0.045 0.00 0.00 +0.131 C BRANCH 28 29 ATOM 29 C LIG 1 -2.177 -1.794 1.451 0.00 0.00 +0.036 C ATOM 30 C LIG 1 -2.164 -0.742 2.564 0.00 0.00 +0.014 C BRANCH 29 31 ATOM 31 C LIG 1 -3.434 -2.652 1.524 0.00 0.00 -0.040 A ATOM 32 C LIG 1 -3.317 -4.045 1.665 0.00 0.00 +0.045 A ATOM 33 C LIG 1 -4.458 -4.842 1.724 0.00 0.00 +0.159 A ATOM 34 F LIG 1 -4.324 -6.168 1.857 0.00 0.00 -0.202 F ATOM 35 C LIG 1 -5.720 -4.270 1.641 0.00 0.00 +0.158 A ATOM 36 F LIG 1 -6.816 -5.040 1.696 0.00 0.00 -0.202 F ATOM 37 C LIG 1 -5.859 -2.895 1.500 0.00 0.00 +0.041 A ATOM 38 C LIG 1 -4.720 -2.087 1.441 0.00 0.00 +0.007 A ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 9 28 TORSDOF 7