REMARK Name = BDB056800 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.603 -0.592 -0.206 0.00 0.00 +0.096 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.866 -1.075 -0.523 0.00 0.00 +0.043 C ATOM 3 C LIG 1 1.893 -0.590 0.526 0.00 0.00 +0.114 C ATOM 4 N LIG 1 3.245 -1.059 0.200 0.00 0.00 -0.301 N ATOM 5 C LIG 1 4.409 -0.290 0.221 0.00 0.00 +0.218 C ATOM 6 O LIG 1 5.496 -0.781 -0.083 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 3.393 -2.477 -0.110 0.00 0.00 +0.108 C ATOM 8 C LIG 1 2.105 -3.262 0.084 0.00 0.00 +0.019 C ATOM 9 C LIG 1 0.950 -2.623 -0.684 0.00 0.00 +0.010 C BRANCH 5 10 ATOM 10 C LIG 1 4.255 1.179 0.586 0.00 0.00 +0.128 C BRANCH 10 11 ATOM 11 C LIG 1 5.558 1.975 0.689 0.00 0.00 +0.141 C ATOM 12 O LIG 1 6.284 1.540 1.856 0.00 0.00 -0.374 OA ATOM 13 C LIG 1 7.706 1.654 1.697 0.00 0.00 +0.175 C ATOM 14 C LIG 1 8.114 2.884 0.871 0.00 0.00 +0.109 C ATOM 15 N LIG 1 7.562 2.902 -0.496 0.00 0.00 -0.311 NA ATOM 16 H LIG 1 8.275 2.590 -1.155 0.00 0.00 +0.122 HD ATOM 17 C LIG 1 6.405 1.991 -0.604 0.00 0.00 +0.113 C ENDBRANCH 10 11 ENDBRANCH 5 10 ENDBRANCH 1 2 BRANCH 1 19 ATOM 18 C LIG 1 -3.059 -1.214 -0.945 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -1.675 -1.030 -1.246 0.00 0.00 -0.005 A ATOM 20 C LIG 1 -1.287 -1.193 -2.601 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.191 -1.535 -3.610 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -3.527 -1.717 -3.302 0.00 0.00 +0.039 A ATOM 23 C LIG 1 -3.946 -1.560 -1.990 0.00 0.00 +0.131 A ATOM 24 F LIG 1 -5.251 -1.748 -1.728 0.00 0.00 -0.205 F BRANCH 18 27 ATOM 25 C LIG 1 -4.241 -1.994 2.578 0.00 0.00 -0.047 A ATOM 26 C LIG 1 -3.697 -2.137 1.292 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -3.655 -1.057 0.391 0.00 0.00 -0.015 A ATOM 28 C LIG 1 -4.224 0.163 0.786 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -4.775 0.316 2.060 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.780 -0.756 2.954 0.00 0.00 +0.003 A BRANCH 25 32 ATOM 31 C LIG 1 -5.627 -3.827 3.602 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -4.258 -3.162 3.533 0.00 0.00 +0.032 C ENDBRANCH 25 32 ENDBRANCH 18 27 ENDBRANCH 1 19 BRANCH 1 33 ATOM 33 O LIG 1 -0.863 -1.201 1.069 0.00 0.00 -0.384 OA ATOM 34 H LIG 1 -1.560 -0.691 1.521 0.00 0.00 +0.211 HD ENDBRANCH 1 33 BRANCH 1 35 ATOM 35 C LIG 1 -0.702 0.950 -0.003 0.00 0.00 +0.041 C BRANCH 35 36 ATOM 36 C LIG 1 -0.189 1.831 -1.153 0.00 0.00 +0.022 C BRANCH 36 37 ATOM 37 C LIG 1 -1.231 2.851 -1.610 0.00 0.00 +0.107 C BRANCH 37 38 ATOM 38 N LIG 1 -2.270 2.227 -2.401 0.00 0.00 -0.281 N ATOM 39 H LIG 1 -2.000 1.659 -3.199 0.00 0.00 +0.152 HD ATOM 40 C LIG 1 -3.567 2.641 -2.484 0.00 0.00 +0.400 C ATOM 41 O LIG 1 -4.303 2.252 -3.381 0.00 0.00 -0.226 OA BRANCH 40 42 ATOM 42 O LIG 1 -3.921 3.497 -1.490 0.00 0.00 -0.454 OA ATOM 43 C LIG 1 -5.289 3.913 -1.540 0.00 0.00 +0.282 C ENDBRANCH 40 42 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 12