REMARK Name = BDB040888 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.269 1.599 0.096 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.773 0.551 -0.683 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.001 -0.420 -1.287 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -1.862 -1.066 -2.200 0.00 0.00 +0.066 A ATOM 5 N LIG 1 -3.104 -0.575 -2.119 0.00 0.00 -0.170 NA ATOM 6 C LIG 1 -1.533 -2.122 -3.187 0.00 0.00 +0.068 C ATOM 7 C LIG 1 0.456 -0.562 -1.044 0.00 0.00 +0.083 C ATOM 8 C LIG 1 1.037 0.795 -0.609 0.00 0.00 +0.172 C ATOM 9 N LIG 1 -3.087 0.202 -0.998 0.00 0.00 -0.218 N ATOM 10 C LIG 1 0.118 1.619 0.333 0.00 0.00 +0.242 C ATOM 11 O LIG 1 0.625 2.358 1.188 0.00 0.00 -0.273 OA ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 0.604 -1.706 -0.044 0.00 0.00 -0.037 A ATOM 13 C LIG 1 0.104 -1.654 1.270 0.00 0.00 +0.007 A ATOM 14 C LIG 1 0.287 -2.726 2.147 0.00 0.00 +0.038 A ATOM 15 C LIG 1 0.976 -3.854 1.721 0.00 0.00 +0.123 A ATOM 16 F LIG 1 1.153 -4.878 2.566 0.00 0.00 -0.205 F ATOM 17 C LIG 1 1.488 -3.931 0.434 0.00 0.00 +0.038 A ATOM 18 C LIG 1 1.305 -2.861 -0.444 0.00 0.00 +0.007 A ENDBRANCH 7 12 BRANCH 9 19 ATOM 19 C LIG 1 -4.290 0.358 -0.256 0.00 0.00 +0.067 A ATOM 20 C LIG 1 -4.264 0.505 1.138 0.00 0.00 +0.028 A ATOM 21 C LIG 1 -5.461 0.617 1.851 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -6.682 0.561 1.181 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -6.714 0.379 -0.201 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -5.522 0.265 -0.919 0.00 0.00 +0.028 A ENDBRANCH 9 19 BRANCH 8 25 ATOM 25 N LIG 1 2.375 0.718 -0.015 0.00 0.00 -0.299 N ATOM 26 H LIG 1 2.522 1.288 0.813 0.00 0.00 +0.150 HD ATOM 27 C LIG 1 3.461 0.289 -0.742 0.00 0.00 +0.245 C ATOM 28 O LIG 1 3.371 -0.112 -1.897 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 4.783 0.359 -0.062 0.00 0.00 +0.037 A ATOM 30 C LIG 1 5.934 0.472 -0.853 0.00 0.00 +0.013 A ATOM 31 C LIG 1 7.193 0.537 -0.254 0.00 0.00 +0.001 A ATOM 32 C LIG 1 7.308 0.479 1.134 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.167 0.349 1.926 0.00 0.00 +0.001 A ATOM 34 C LIG 1 4.905 0.285 1.332 0.00 0.00 +0.013 A ENDBRANCH 27 29 ENDBRANCH 8 25 BRANCH 1 36 ATOM 35 C LIG 1 -1.702 4.003 -0.315 0.00 0.00 +0.025 C ATOM 36 C LIG 1 -2.021 2.776 0.534 0.00 0.00 +0.112 C ENDBRANCH 1 36 TORSDOF 5