REMARK Name = BDB027719 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.572 -0.919 -1.028 0.00 0.00 +0.131 A ATOM 2 C LIG 1 0.913 -1.810 -2.067 0.00 0.00 +0.043 A ATOM 3 C LIG 1 2.276 -2.061 -2.229 0.00 0.00 +0.095 A ATOM 4 C LIG 1 2.621 -2.944 -3.241 0.00 0.00 +0.139 A ATOM 5 N LIG 1 1.759 -3.575 -4.082 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 0.455 -3.300 -3.911 0.00 0.00 +0.111 A ATOM 7 N LIG 1 3.215 -1.499 -1.460 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 2.790 -0.634 -0.528 0.00 0.00 +0.166 A ATOM 9 C LIG 1 -0.012 -2.441 -2.934 0.00 0.00 +0.033 A ATOM 10 N LIG 1 1.513 -0.309 -0.288 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 3.803 -0.066 0.339 0.00 0.00 +0.068 A ATOM 12 C LIG 1 3.845 1.164 1.057 0.00 0.00 +0.176 A ATOM 13 N LIG 1 4.994 1.271 1.764 0.00 0.00 -0.169 NA ATOM 14 N LIG 1 5.667 0.147 1.480 0.00 0.00 -0.283 N ATOM 15 H LIG 1 6.580 0.014 1.904 0.00 0.00 +0.188 HD ATOM 16 C LIG 1 5.005 -0.682 0.631 0.00 0.00 +0.117 A BRANCH 12 17 ATOM 17 C LIG 1 2.807 2.252 1.040 0.00 0.00 +0.437 C ATOM 18 F LIG 1 3.245 3.412 1.608 0.00 0.00 -0.164 F ATOM 19 F LIG 1 1.678 1.909 1.717 0.00 0.00 -0.164 F ATOM 20 F LIG 1 2.434 2.581 -0.227 0.00 0.00 -0.164 F ENDBRANCH 12 17 ENDBRANCH 8 11 BRANCH 1 21 ATOM 21 N LIG 1 -0.792 -0.695 -0.775 0.00 0.00 -0.323 N ATOM 22 H LIG 1 -1.224 -1.605 -0.623 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -1.325 0.303 0.191 0.00 0.00 +0.030 C ATOM 24 C LIG 1 -0.882 -0.039 1.616 0.00 0.00 +0.031 C ATOM 25 C LIG 1 -0.874 1.712 -0.233 0.00 0.00 +0.031 C BRANCH 23 26 ATOM 26 C LIG 1 -2.886 0.191 0.036 0.00 0.00 +0.059 C BRANCH 26 28 ATOM 27 C LIG 1 -3.661 2.318 1.316 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -3.889 0.839 1.024 0.00 0.00 +0.062 C ATOM 29 C LIG 1 -4.043 0.056 2.331 0.00 0.00 +0.041 C BRANCH 28 30 ATOM 30 O LIG 1 -5.183 0.738 0.389 0.00 0.00 -0.389 OA ATOM 31 H LIG 1 -5.185 1.323 -0.388 0.00 0.00 +0.210 HD ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 23 26 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 7