REMARK Name = BDB037286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.642 -2.520 0.852 0.00 0.00 +0.192 A ATOM 2 C LIG 1 0.413 -1.613 0.609 0.00 0.00 +0.106 A ATOM 3 C LIG 1 1.554 -2.375 0.802 0.00 0.00 +0.173 A ATOM 4 C LIG 1 2.865 -1.890 0.694 0.00 0.00 +0.055 A ATOM 5 C LIG 1 3.041 -0.532 0.348 0.00 0.00 -0.016 A ATOM 6 C LIG 1 1.905 0.248 0.133 0.00 0.00 +0.003 A ATOM 7 C LIG 1 1.786 1.664 -0.306 0.00 0.00 +0.080 C ATOM 8 C LIG 1 0.306 1.897 -0.013 0.00 0.00 +0.234 C ATOM 9 O LIG 1 -0.377 0.629 -0.072 0.00 0.00 -0.491 OA ATOM 10 O LIG 1 1.196 -3.654 1.090 0.00 0.00 -0.353 OA ATOM 11 C LIG 1 0.617 -0.283 0.248 0.00 0.00 +0.138 A ATOM 12 N LIG 1 -0.185 -3.757 1.086 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -2.019 -2.316 0.813 0.00 0.00 -0.196 N ATOM 14 H LIG 1 -2.526 -3.187 0.969 0.00 0.00 +0.175 HD BRANCH 13 15 ATOM 15 S LIG 1 -2.747 -1.119 1.760 0.00 0.00 +0.077 S ATOM 16 O LIG 1 -1.719 -0.546 2.604 0.00 0.00 -0.150 OA ATOM 17 O LIG 1 -3.911 -1.761 2.341 0.00 0.00 -0.150 OA BRANCH 15 19 ATOM 18 C LIG 1 -3.335 1.453 0.944 0.00 0.00 +0.147 A ATOM 19 C LIG 1 -3.377 0.086 0.591 0.00 0.00 +0.153 A ATOM 20 C LIG 1 -3.932 -0.311 -0.652 0.00 0.00 -0.020 A ATOM 21 C LIG 1 -4.126 -1.738 -1.086 0.00 0.00 +0.046 C ATOM 22 C LIG 1 -4.334 0.685 -1.559 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -4.243 2.033 -1.231 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -3.762 2.414 0.019 0.00 0.00 +0.047 A BRANCH 18 26 ATOM 25 C LIG 1 -2.834 3.145 2.572 0.00 0.00 +0.277 C ATOM 26 O LIG 1 -2.909 1.776 2.203 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 4.438 0.020 0.197 0.00 0.00 +0.179 C BRANCH 27 28 ATOM 28 N LIG 1 5.080 -0.472 -1.015 0.00 0.00 -0.267 N ATOM 29 N LIG 1 5.963 -1.490 -0.946 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 6.351 -1.658 -2.212 0.00 0.00 +0.134 A ATOM 31 C LIG 1 5.737 -0.745 -3.088 0.00 0.00 +0.041 A ATOM 32 C LIG 1 4.924 0.018 -2.283 0.00 0.00 +0.108 A ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 6