REMARK Name = BDB027006 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.551 0.539 -1.531 0.00 0.00 -0.290 OA ATOM 2 C LIG 1 -0.512 0.963 -0.370 0.00 0.00 +0.186 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 0.716 0.857 0.432 0.00 0.00 +0.044 A ATOM 4 C LIG 1 1.939 0.200 0.060 0.00 0.00 +0.010 A ATOM 5 C LIG 1 2.839 0.350 1.113 0.00 0.00 +0.048 A ATOM 6 C LIG 1 4.142 -0.173 1.085 0.00 0.00 +0.036 A ATOM 7 C LIG 1 4.573 -0.883 -0.055 0.00 0.00 +0.002 A ATOM 8 C LIG 1 3.665 -1.046 -1.114 0.00 0.00 +0.011 A ATOM 9 N LIG 1 2.198 1.064 2.095 0.00 0.00 -0.360 N ATOM 10 H LIG 1 2.614 1.324 2.979 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 2.367 -0.516 -1.075 0.00 0.00 +0.011 A ATOM 12 C LIG 1 0.924 1.374 1.699 0.00 0.00 +0.095 A BRANCH 7 13 ATOM 13 C LIG 1 5.935 -1.453 -0.144 0.00 0.00 +0.071 A ATOM 14 N LIG 1 6.041 -2.630 -0.813 0.00 0.00 -0.255 NA ATOM 15 C LIG 1 7.265 -3.192 -0.919 0.00 0.00 +0.111 A ATOM 16 C LIG 1 8.416 -2.635 -0.392 0.00 0.00 +0.020 A ATOM 17 C LIG 1 8.306 -1.427 0.282 0.00 0.00 +0.004 A ATOM 18 C LIG 1 7.054 -0.827 0.408 0.00 0.00 +0.028 A ENDBRANCH 7 13 ENDBRANCH 2 3 BRANCH 2 19 ATOM 19 C LIG 1 -1.767 1.627 0.265 0.00 0.00 +0.156 C BRANCH 19 20 ATOM 20 C LIG 1 -1.679 3.148 0.247 0.00 0.00 -0.023 A ATOM 21 C LIG 1 -2.119 3.882 1.361 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -2.054 5.277 1.367 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -1.560 5.957 0.256 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -1.140 5.244 -0.865 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.205 3.850 -0.874 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 -3.006 1.205 -0.443 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -2.806 1.268 -1.445 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.378 -0.176 -0.117 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.613 -0.599 -0.924 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.034 -2.012 -0.597 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -6.012 -2.253 0.380 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -6.386 -3.560 0.694 0.00 0.00 +0.038 A ATOM 33 C LIG 1 -5.782 -4.624 0.034 0.00 0.00 +0.123 A ATOM 34 F LIG 1 -6.141 -5.878 0.337 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -4.808 -4.406 -0.933 0.00 0.00 +0.038 A ATOM 36 C LIG 1 -4.432 -3.099 -1.249 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 2 19 TORSDOF 8