REMARK Name = BDB059374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.744 -0.898 -1.470 0.00 0.00 +0.259 C ATOM 2 N LIG 1 1.014 -0.309 -2.695 0.00 0.00 -0.228 N ATOM 3 H LIG 1 0.350 0.365 -3.079 0.00 0.00 +0.171 HD ATOM 4 O LIG 1 1.631 -1.330 -0.740 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 10 ATOM 5 C LIG 1 -4.165 -1.160 -2.562 0.00 0.00 +0.044 C ATOM 6 C LIG 1 -3.053 -1.010 -1.563 0.00 0.00 -0.048 A ATOM 7 C LIG 1 -3.341 -0.924 -0.192 0.00 0.00 +0.031 A ATOM 8 C LIG 1 -2.307 -0.828 0.751 0.00 0.00 +0.066 A ATOM 9 C LIG 1 -0.973 -0.827 0.315 0.00 0.00 +0.041 A ATOM 10 C LIG 1 -0.680 -0.912 -1.051 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -1.717 -1.016 -1.987 0.00 0.00 +0.016 A BRANCH 8 12 ATOM 12 N LIG 1 -2.583 -0.727 2.145 0.00 0.00 -0.240 N ATOM 13 N LIG 1 -1.576 -0.592 3.046 0.00 0.00 -0.175 NA ATOM 14 C LIG 1 -2.182 -0.529 4.231 0.00 0.00 +0.135 A ATOM 15 C LIG 1 -3.576 -0.611 4.125 0.00 0.00 +0.041 A ATOM 16 C LIG 1 -3.811 -0.734 2.776 0.00 0.00 +0.114 A ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 2 17 ATOM 17 N LIG 1 2.483 0.071 -2.928 0.00 0.00 -0.108 NA ATOM 18 H LIG 1 3.127 -0.573 -2.445 0.00 0.00 +0.172 HD BRANCH 17 19 ATOM 19 S LIG 1 2.855 1.701 -2.534 0.00 0.00 +0.076 S ATOM 20 O LIG 1 4.125 2.042 -3.133 0.00 0.00 -0.152 OA ATOM 21 O LIG 1 1.652 2.463 -2.818 0.00 0.00 -0.152 OA BRANCH 19 22 ATOM 22 C LIG 1 3.071 1.665 -0.791 0.00 0.00 +0.145 A ATOM 23 C LIG 1 4.026 0.815 -0.253 0.00 0.00 +0.191 A ATOM 24 F LIG 1 4.761 0.010 -1.036 0.00 0.00 -0.200 F ATOM 25 C LIG 1 4.212 0.769 1.125 0.00 0.00 +0.154 A ATOM 26 C LIG 1 3.448 1.569 1.969 0.00 0.00 +0.048 A ATOM 27 C LIG 1 2.485 2.423 1.426 0.00 0.00 +0.006 A ATOM 28 C LIG 1 2.294 2.476 0.043 0.00 0.00 +0.032 A BRANCH 25 29 ATOM 29 O LIG 1 5.141 -0.061 1.684 0.00 0.00 -0.504 OA ATOM 30 H LIG 1 5.532 -0.587 0.962 0.00 0.00 +0.292 HD ENDBRANCH 25 29 ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 2 17 TORSDOF 6