REMARK Name = BDB040874 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.517 -0.286 0.077 0.00 0.00 -0.247 N ATOM 2 C LIG 1 -2.175 -0.625 0.073 0.00 0.00 +0.137 A ATOM 3 N LIG 1 -1.542 -1.821 -0.302 0.00 0.00 -0.192 N ATOM 4 C LIG 1 -0.142 -1.819 -0.291 0.00 0.00 +0.249 C ATOM 5 C LIG 1 0.559 -0.786 0.629 0.00 0.00 +0.172 C ATOM 6 C LIG 1 -0.025 0.632 0.482 0.00 0.00 +0.083 C ATOM 7 O LIG 1 0.540 -2.597 -0.969 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -2.216 -3.029 -0.164 0.00 0.00 +0.224 C ATOM 9 O LIG 1 -3.120 -3.227 0.649 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -1.734 -4.171 -1.028 0.00 0.00 +0.110 C ATOM 11 C LIG 1 -1.506 0.539 0.410 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -2.502 1.490 0.706 0.00 0.00 +0.066 A ATOM 13 C LIG 1 -2.337 2.893 1.157 0.00 0.00 +0.068 C ATOM 14 N LIG 1 -3.719 0.983 0.511 0.00 0.00 -0.174 NA ENDROOT BRANCH 6 15 ATOM 15 C LIG 1 0.433 1.409 -0.748 0.00 0.00 -0.037 A ATOM 16 C LIG 1 1.254 2.539 -0.553 0.00 0.00 +0.007 A ATOM 17 C LIG 1 1.731 3.277 -1.637 0.00 0.00 +0.038 A ATOM 18 C LIG 1 1.396 2.892 -2.927 0.00 0.00 +0.123 A ATOM 19 F LIG 1 1.853 3.598 -3.969 0.00 0.00 -0.205 F ATOM 20 C LIG 1 0.595 1.780 -3.152 0.00 0.00 +0.038 A ATOM 21 C LIG 1 0.118 1.038 -2.069 0.00 0.00 +0.007 A ENDBRANCH 6 15 BRANCH 5 22 ATOM 22 N LIG 1 2.007 -0.866 0.426 0.00 0.00 -0.299 N ATOM 23 H LIG 1 2.322 -1.317 -0.427 0.00 0.00 +0.150 HD ATOM 24 C LIG 1 2.896 -0.229 1.258 0.00 0.00 +0.245 C ATOM 25 O LIG 1 2.533 0.448 2.214 0.00 0.00 -0.270 OA BRANCH 24 26 ATOM 26 C LIG 1 4.340 -0.359 0.922 0.00 0.00 +0.037 A ATOM 27 C LIG 1 5.211 0.658 1.339 0.00 0.00 +0.016 A ATOM 28 C LIG 1 6.581 0.588 1.052 0.00 0.00 -0.050 A ATOM 29 C LIG 1 7.499 1.699 1.467 0.00 0.00 +0.044 C ATOM 30 C LIG 1 7.069 -0.506 0.328 0.00 0.00 +0.003 A ATOM 31 C LIG 1 6.210 -1.529 -0.075 0.00 0.00 +0.001 A ATOM 32 C LIG 1 4.848 -1.462 0.225 0.00 0.00 +0.013 A ENDBRANCH 24 26 ENDBRANCH 5 22 BRANCH 1 33 ATOM 33 C LIG 1 -4.669 -0.983 -0.500 0.00 0.00 +0.106 C ATOM 34 C LIG 1 -5.309 -0.175 -1.638 0.00 0.00 +0.032 C BRANCH 33 36 ATOM 35 C LIG 1 -6.606 -0.366 1.127 0.00 0.00 +0.006 C ATOM 36 C LIG 1 -5.687 -1.443 0.565 0.00 0.00 +0.023 C ENDBRANCH 33 36 ENDBRANCH 1 33 TORSDOF 5