REMARK Name = BDB018989 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.665 -1.610 0.444 0.00 0.00 -0.299 N ATOM 2 C LIG 1 0.582 -0.946 0.426 0.00 0.00 +0.038 A ATOM 3 C LIG 1 1.588 -1.241 1.361 0.00 0.00 -0.025 A ATOM 4 C LIG 1 2.827 -0.582 1.296 0.00 0.00 +0.014 A ATOM 5 C LIG 1 3.091 0.391 0.320 0.00 0.00 -0.006 A ATOM 6 C LIG 1 2.091 0.718 -0.609 0.00 0.00 +0.027 A ATOM 7 C LIG 1 1.377 -2.288 2.423 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -0.102 -2.564 2.642 0.00 0.00 +0.024 C ATOM 9 C LIG 1 0.859 0.030 -0.547 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -0.775 -2.804 1.298 0.00 0.00 +0.111 C ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -2.736 -1.878 -0.925 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -1.901 -1.115 -0.050 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -2.315 0.175 0.345 0.00 0.00 +0.052 A ATOM 14 C LIG 1 -3.521 0.648 -0.126 0.00 0.00 +0.071 A ATOM 15 N LIG 1 -4.166 1.869 0.105 0.00 0.00 -0.295 N ATOM 16 C LIG 1 -5.389 1.887 -0.601 0.00 0.00 +0.330 A ATOM 17 N LIG 1 -5.471 0.644 -1.267 0.00 0.00 -0.295 N ATOM 18 C LIG 1 -6.551 0.220 -2.110 0.00 0.00 +0.154 C ATOM 19 O LIG 1 -6.208 2.791 -0.630 0.00 0.00 -0.246 OA ATOM 20 C LIG 1 -3.663 2.930 0.929 0.00 0.00 +0.154 C ATOM 21 C LIG 1 -4.328 -0.110 -0.973 0.00 0.00 +0.071 A ATOM 22 C LIG 1 -3.962 -1.371 -1.388 0.00 0.00 +0.046 A BRANCH 11 24 ATOM 23 C LIG 1 -2.012 -4.248 -1.827 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -2.337 -3.171 -1.409 0.00 0.00 -0.068 C ENDBRANCH 11 24 ENDBRANCH 1 12 BRANCH 5 25 ATOM 25 C LIG 1 4.400 1.012 0.326 0.00 0.00 +0.020 A ATOM 26 C LIG 1 5.299 0.971 -0.716 0.00 0.00 +0.116 A ATOM 27 N LIG 1 6.405 1.646 -0.289 0.00 0.00 -0.274 N ATOM 28 C LIG 1 7.609 1.903 -1.042 0.00 0.00 +0.172 C ATOM 29 N LIG 1 6.312 2.081 0.982 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 5.087 1.699 1.352 0.00 0.00 +0.142 A ENDBRANCH 5 25 BRANCH 6 31 ATOM 31 C LIG 1 2.277 1.758 -1.685 0.00 0.00 +0.372 C ATOM 32 F LIG 1 2.843 2.916 -1.243 0.00 0.00 -0.204 F ATOM 33 F LIG 1 3.050 1.322 -2.720 0.00 0.00 -0.204 F ENDBRANCH 6 31 TORSDOF 4