REMARK Name = BDB032847 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.873 0.667 -1.335 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -1.169 0.002 -0.325 0.00 0.00 +0.060 A ATOM 3 C LIG 1 0.229 0.070 -0.300 0.00 0.00 +0.144 A ATOM 4 C LIG 1 0.931 0.845 -1.235 0.00 0.00 +0.079 A ATOM 5 C LIG 1 0.212 1.516 -2.235 0.00 0.00 +0.017 A ATOM 6 C LIG 1 -1.183 1.434 -2.280 0.00 0.00 +0.014 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 -3.915 -0.616 -1.077 0.00 0.00 -0.311 N ATOM 8 H LIG 1 -3.319 -1.420 -0.925 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 -3.353 0.596 -1.417 0.00 0.00 +0.244 C ATOM 10 O LIG 1 -3.991 1.572 -1.791 0.00 0.00 -0.270 OA BRANCH 7 11 ATOM 11 C LIG 1 -5.346 -0.833 -1.133 0.00 0.00 +0.104 C BRANCH 11 13 ATOM 12 C LIG 1 -5.667 -1.062 1.373 0.00 0.00 +0.005 C ATOM 13 C LIG 1 -6.066 -0.313 0.110 0.00 0.00 +0.015 C ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 1 9 BRANCH 4 14 ATOM 14 C LIG 1 2.416 0.992 -1.238 0.00 0.00 +0.253 C ATOM 15 N LIG 1 3.002 1.008 0.006 0.00 0.00 -0.261 N ATOM 16 H LIG 1 2.436 0.946 0.839 0.00 0.00 +0.157 HD ATOM 17 O LIG 1 2.980 1.120 -2.317 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 4.351 1.129 0.184 0.00 0.00 +0.167 A ATOM 19 S LIG 1 4.833 1.135 1.825 0.00 0.00 -0.028 S ATOM 20 C LIG 1 6.448 1.293 1.314 0.00 0.00 +0.185 A ATOM 21 C LIG 1 6.527 1.328 -0.058 0.00 0.00 +0.153 A ATOM 22 N LIG 1 5.308 1.227 -0.704 0.00 0.00 -0.231 NA BRANCH 20 23 ATOM 23 N LIG 1 7.529 1.370 2.242 0.00 0.00 +0.065 N ATOM 24 O LIG 1 7.266 1.298 3.449 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 8.661 1.501 1.758 0.00 0.00 -0.126 OA ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 4 14 BRANCH 3 26 ATOM 26 O LIG 1 0.930 -0.615 0.708 0.00 0.00 -0.425 OA BRANCH 26 27 ATOM 27 C LIG 1 0.787 -2.003 0.694 0.00 0.00 +0.309 C ATOM 28 O LIG 1 0.079 -2.653 -0.061 0.00 0.00 -0.251 OA ATOM 29 C LIG 1 1.643 -2.587 1.778 0.00 0.00 +0.136 C ENDBRANCH 26 27 ENDBRANCH 3 26 TORSDOF 8