REMARK Name = BDB037289 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.538 1.539 0.158 0.00 0.00 +0.192 A ATOM 2 C LIG 1 -0.646 0.777 0.050 0.00 0.00 +0.106 A ATOM 3 C LIG 1 -1.006 0.889 -1.280 0.00 0.00 +0.173 A ATOM 4 C LIG 1 -2.138 0.290 -1.848 0.00 0.00 +0.055 A ATOM 5 C LIG 1 -2.969 -0.478 -1.001 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -2.609 -0.610 0.343 0.00 0.00 +0.003 A ATOM 7 C LIG 1 -3.317 -1.293 1.458 0.00 0.00 +0.080 C ATOM 8 C LIG 1 -2.197 -1.309 2.498 0.00 0.00 +0.234 C ATOM 9 O LIG 1 -1.273 -0.232 2.213 0.00 0.00 -0.491 OA ATOM 10 O LIG 1 -0.091 1.663 -1.921 0.00 0.00 -0.353 OA ATOM 11 C LIG 1 -1.469 0.003 0.861 0.00 0.00 +0.138 A ATOM 12 N LIG 1 0.882 2.070 -1.020 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 1.246 1.700 1.341 0.00 0.00 -0.196 N ATOM 14 H LIG 1 0.966 1.142 2.146 0.00 0.00 +0.175 HD BRANCH 13 15 ATOM 15 S LIG 1 2.805 2.279 1.426 0.00 0.00 +0.077 S ATOM 16 O LIG 1 3.278 2.018 2.772 0.00 0.00 -0.150 OA ATOM 17 O LIG 1 2.835 3.629 0.901 0.00 0.00 -0.150 OA BRANCH 15 19 ATOM 18 C LIG 1 3.782 -0.150 0.567 0.00 0.00 +0.147 A ATOM 19 C LIG 1 3.724 1.226 0.337 0.00 0.00 +0.150 A ATOM 20 C LIG 1 4.414 1.790 -0.742 0.00 0.00 +0.033 A ATOM 21 C LIG 1 5.145 0.971 -1.603 0.00 0.00 +0.005 A ATOM 22 C LIG 1 5.180 -0.415 -1.405 0.00 0.00 -0.047 A ATOM 23 C LIG 1 5.980 -1.292 -2.324 0.00 0.00 +0.044 C ATOM 24 C LIG 1 4.498 -0.969 -0.313 0.00 0.00 +0.051 A BRANCH 18 26 ATOM 25 C LIG 1 3.952 -1.250 2.589 0.00 0.00 +0.277 C ATOM 26 O LIG 1 3.075 -0.716 1.594 0.00 0.00 -0.493 OA ENDBRANCH 18 26 ENDBRANCH 15 19 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 5 27 ATOM 27 C LIG 1 -4.214 -1.127 -1.558 0.00 0.00 +0.179 C BRANCH 27 28 ATOM 28 N LIG 1 -5.430 -0.486 -1.077 0.00 0.00 -0.267 N ATOM 29 N LIG 1 -6.245 -1.140 -0.222 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 -7.249 -0.282 -0.025 0.00 0.00 +0.134 A ATOM 31 C LIG 1 -7.090 0.908 -0.756 0.00 0.00 +0.041 A ATOM 32 C LIG 1 -5.907 0.744 -1.437 0.00 0.00 +0.108 A ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 6