REMARK Name = BDB011198 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.768 4.540 -1.096 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -2.094 3.175 -0.933 0.00 0.00 +0.114 A ATOM 3 N LIG 1 -3.295 2.776 -1.378 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 -3.624 1.480 -1.308 0.00 0.00 +0.127 A ATOM 5 C LIG 1 -2.824 0.520 -0.722 0.00 0.00 +0.082 A ATOM 6 C LIG 1 -1.606 0.884 -0.156 0.00 0.00 +0.069 A ATOM 7 N LIG 1 -0.931 -0.151 0.599 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -1.443 -1.460 0.714 0.00 0.00 +0.337 A ATOM 9 O LIG 1 -0.943 -2.248 1.526 0.00 0.00 -0.246 OA ATOM 10 N LIG 1 -2.539 -1.809 -0.075 0.00 0.00 -0.228 N ATOM 11 C LIG 1 -3.290 -0.865 -0.760 0.00 0.00 +0.270 A ATOM 12 O LIG 1 -4.287 -1.097 -1.444 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 -1.172 2.263 -0.337 0.00 0.00 +0.028 A ATOM 14 C LIG 1 0.099 2.823 -0.026 0.00 0.00 +0.012 A ATOM 15 C LIG 1 0.419 4.171 -0.201 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -0.522 5.036 -0.720 0.00 0.00 +0.048 A ENDROOT BRANCH 10 17 ATOM 17 C LIG 1 -2.961 -3.199 -0.101 0.00 0.00 +0.056 A ATOM 18 C LIG 1 -4.317 -3.563 -0.153 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -4.699 -4.907 -0.186 0.00 0.00 +0.043 A ATOM 20 CL LIG 1 -6.370 -5.319 -0.233 0.00 0.00 -0.083 Cl ATOM 21 C LIG 1 -3.745 -5.919 -0.171 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.396 -5.583 -0.121 0.00 0.00 +0.003 A ATOM 23 C LIG 1 -2.011 -4.239 -0.086 0.00 0.00 +0.026 A ENDBRANCH 10 17 BRANCH 1 25 ATOM 24 C LIG 1 -2.461 6.695 -1.905 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -2.756 5.330 -1.649 0.00 0.00 -0.493 OA ENDBRANCH 1 25 BRANCH 7 26 ATOM 26 C LIG 1 0.178 0.141 1.516 0.00 0.00 +0.130 C BRANCH 26 27 ATOM 27 C LIG 1 1.584 -0.159 0.939 0.00 0.00 +0.011 C ATOM 28 C LIG 1 2.662 0.438 1.873 0.00 0.00 +0.022 C ATOM 29 C LIG 1 3.908 -0.434 1.997 0.00 0.00 +0.109 C ATOM 30 N LIG 1 4.300 -0.982 0.681 0.00 0.00 -0.181 NA ATOM 31 C LIG 1 3.256 -1.843 0.060 0.00 0.00 +0.109 C ATOM 32 C LIG 1 1.872 -1.645 0.685 0.00 0.00 +0.022 C BRANCH 30 33 ATOM 33 S LIG 1 5.127 0.094 -0.346 0.00 0.00 +0.029 S ATOM 34 O LIG 1 6.079 0.834 0.454 0.00 0.00 -0.158 OA ATOM 35 O LIG 1 4.142 0.780 -1.153 0.00 0.00 -0.158 OA ATOM 36 C LIG 1 6.046 -1.029 -1.380 0.00 0.00 +0.215 C ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 7 26 TORSDOF 5