REMARK Name = BDB034585 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.126 -0.554 -0.993 0.00 0.00 -0.280 N ATOM 2 H LIG 1 1.156 -0.117 -0.071 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.068 -1.202 -1.257 0.00 0.00 +0.267 C ATOM 4 O LIG 1 -0.360 -1.840 -2.261 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 4.545 0.438 -2.004 0.00 0.00 -0.006 A ATOM 6 C LIG 1 3.358 0.258 -1.278 0.00 0.00 +0.030 A ATOM 7 C LIG 1 2.264 -0.444 -1.808 0.00 0.00 +0.034 A ATOM 8 C LIG 1 2.356 -0.983 -3.088 0.00 0.00 +0.023 A ATOM 9 C LIG 1 3.525 -0.821 -3.831 0.00 0.00 +0.002 A ATOM 10 C LIG 1 4.605 -0.116 -3.295 0.00 0.00 +0.007 A BRANCH 5 11 ATOM 11 C LIG 1 5.781 1.167 -1.468 0.00 0.00 +0.172 C ATOM 12 F LIG 1 6.466 1.705 -2.550 0.00 0.00 -0.234 F ATOM 13 C LIG 1 6.752 0.140 -0.871 0.00 0.00 +0.056 C BRANCH 11 14 ATOM 14 C LIG 1 5.527 2.383 -0.525 0.00 0.00 +0.274 C ATOM 15 F LIG 1 6.568 3.264 -0.686 0.00 0.00 -0.233 F BRANCH 14 18 ATOM 16 C LIG 1 7.629 2.972 1.742 0.00 0.00 +0.151 C ATOM 17 N LIG 1 6.343 2.344 1.902 0.00 0.00 -0.318 N ATOM 18 C LIG 1 5.401 2.064 0.938 0.00 0.00 +0.171 A ATOM 19 N LIG 1 4.364 1.509 1.537 0.00 0.00 -0.132 NA ATOM 20 N LIG 1 4.626 1.414 2.879 0.00 0.00 -0.138 NA ATOM 21 C LIG 1 5.813 1.929 3.086 0.00 0.00 +0.224 A ENDBRANCH 14 18 ENDBRANCH 11 14 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 -1.054 -1.060 -0.132 0.00 0.00 +0.126 A ATOM 23 N LIG 1 -0.641 -0.292 0.919 0.00 0.00 -0.247 NA ATOM 24 C LIG 1 -1.487 -0.114 1.964 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -2.749 -0.720 1.956 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -3.169 -1.504 0.869 0.00 0.00 -0.029 A ATOM 27 C LIG 1 -2.289 -1.677 -0.199 0.00 0.00 +0.038 A BRANCH 24 28 ATOM 28 C LIG 1 -0.983 0.762 3.096 0.00 0.00 +0.038 C ATOM 29 C LIG 1 -1.909 1.498 4.034 0.00 0.00 +0.010 C ATOM 30 C LIG 1 -1.109 0.329 4.538 0.00 0.00 +0.010 C ENDBRANCH 24 28 BRANCH 26 31 ATOM 31 C LIG 1 -4.522 -2.184 0.882 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 -5.257 -2.019 -0.371 0.00 0.00 -0.298 NA ATOM 33 C LIG 1 -5.729 -0.644 -0.596 0.00 0.00 +0.091 C ATOM 34 C LIG 1 -6.828 -0.856 -1.612 0.00 0.00 -0.015 C ATOM 35 C LIG 1 -6.855 -0.050 -2.892 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -7.890 0.198 -1.835 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -7.182 -2.317 -1.648 0.00 0.00 +0.023 C ATOM 38 C LIG 1 -6.454 -2.867 -0.429 0.00 0.00 +0.085 C ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 3 22 TORSDOF 8