REMARK Name = BDB008797 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.352 -0.293 0.488 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.346 -1.248 0.617 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.476 -2.273 1.536 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.601 -3.108 1.512 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 1.412 -2.637 0.583 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -1.533 -2.434 2.343 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.471 -1.497 2.149 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.859 -1.509 -0.005 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -2.428 -0.464 1.275 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.670 -3.281 0.199 0.00 0.00 +0.018 A ATOM 11 C LIG 1 2.666 -4.646 -0.123 0.00 0.00 +0.011 A ATOM 12 C LIG 1 3.846 -5.292 -0.498 0.00 0.00 +0.001 A ATOM 13 C LIG 1 5.044 -4.583 -0.544 0.00 0.00 +0.000 A ATOM 14 C LIG 1 5.066 -3.232 -0.204 0.00 0.00 +0.001 A ATOM 15 C LIG 1 3.885 -2.585 0.172 0.00 0.00 +0.011 A ENDBRANCH 5 10 BRANCH 1 16 ATOM 16 N LIG 1 -1.264 0.773 -0.392 0.00 0.00 -0.324 N ATOM 17 H LIG 1 -0.328 1.163 -0.410 0.00 0.00 +0.148 HD BRANCH 16 19 ATOM 18 C LIG 1 -2.377 2.618 0.852 0.00 0.00 +0.028 C ATOM 19 C LIG 1 -2.288 1.827 -0.451 0.00 0.00 +0.072 C BRANCH 19 20 ATOM 20 C LIG 1 -3.633 1.337 -0.999 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -4.800 0.841 -0.093 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -5.767 1.476 -1.113 0.00 0.00 +0.001 C ATOM 23 C LIG 1 -4.622 2.436 -1.491 0.00 0.00 +0.005 C ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 1 16 BRANCH 7 24 ATOM 24 C LIG 1 -3.712 -1.575 2.999 0.00 0.00 +0.375 C ATOM 25 O LIG 1 -4.652 -0.796 2.996 0.00 0.00 -0.242 OA BRANCH 24 26 ATOM 26 O LIG 1 -3.728 -2.639 3.835 0.00 0.00 -0.475 OA ATOM 27 H LIG 1 -4.578 -2.557 4.313 0.00 0.00 +0.296 HD ENDBRANCH 24 26 ENDBRANCH 7 24 BRANCH 8 28 ATOM 28 C LIG 1 1.368 -0.831 -1.191 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 C LIG 1 2.037 0.502 -0.921 0.00 0.00 -0.028 A ATOM 30 C LIG 1 2.302 1.337 -2.019 0.00 0.00 +0.006 A ATOM 31 C LIG 1 2.915 2.581 -1.848 0.00 0.00 +0.013 A ATOM 32 C LIG 1 3.292 3.019 -0.572 0.00 0.00 +0.055 A ATOM 33 C LIG 1 3.030 2.191 0.527 0.00 0.00 +0.013 A ATOM 34 C LIG 1 2.417 0.946 0.355 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 3.933 4.372 -0.382 0.00 0.00 +0.417 C ATOM 36 F LIG 1 3.012 5.354 -0.178 0.00 0.00 -0.166 F ATOM 37 F LIG 1 4.775 4.419 0.688 0.00 0.00 -0.166 F ATOM 38 F LIG 1 4.673 4.768 -1.455 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 9