REMARK Name = BDB033809 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.960 1.948 -0.923 0.00 0.00 +0.032 A ATOM 2 C LIG 1 -2.150 0.623 -0.594 0.00 0.00 +0.223 A ATOM 3 N LIG 1 -1.168 -0.198 -0.181 0.00 0.00 -0.179 NA ATOM 4 C LIG 1 0.065 0.318 -0.083 0.00 0.00 +0.223 A ATOM 5 N LIG 1 0.351 1.593 -0.375 0.00 0.00 -0.222 NA ATOM 6 C LIG 1 -0.662 2.379 -0.784 0.00 0.00 +0.123 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.850 3.414 -0.183 0.00 0.00 +0.009 C ATOM 8 C LIG 1 -3.058 2.866 -1.361 0.00 0.00 +0.038 C ENDBRANCH 1 8 BRANCH 4 9 ATOM 9 N LIG 1 1.039 -0.580 0.347 0.00 0.00 -0.284 N ATOM 10 H LIG 1 0.602 -1.475 0.512 0.00 0.00 +0.155 HD BRANCH 9 11 ATOM 11 C LIG 1 2.406 -0.478 0.624 0.00 0.00 +0.034 A ATOM 12 C LIG 1 3.095 -1.637 1.025 0.00 0.00 +0.025 A ATOM 13 C LIG 1 4.464 -1.613 1.307 0.00 0.00 +0.030 A ATOM 14 C LIG 1 5.168 -0.417 1.179 0.00 0.00 +0.105 A ATOM 15 C LIG 1 4.510 0.750 0.792 0.00 0.00 +0.030 A ATOM 16 C LIG 1 3.139 0.710 0.513 0.00 0.00 +0.025 A BRANCH 14 17 ATOM 17 S LIG 1 6.900 -0.380 1.550 0.00 0.00 +0.058 S ATOM 18 O LIG 1 7.351 0.994 1.582 0.00 0.00 -0.153 OA ATOM 19 O LIG 1 7.132 -1.284 2.655 0.00 0.00 -0.153 OA BRANCH 17 20 ATOM 20 N LIG 1 7.565 -1.116 0.196 0.00 0.00 -0.193 NA ATOM 21 H LIG 1 8.232 -1.850 0.432 0.00 0.00 +0.148 HD ATOM 22 C LIG 1 7.801 -0.310 -0.993 0.00 0.00 +0.127 C ENDBRANCH 17 20 ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 4 9 BRANCH 2 23 ATOM 23 O LIG 1 -3.438 0.134 -0.697 0.00 0.00 -0.470 OA BRANCH 23 24 ATOM 24 C LIG 1 -3.609 -1.232 -0.296 0.00 0.00 +0.203 C ATOM 25 C LIG 1 -4.971 -1.709 -0.819 0.00 0.00 +0.155 C ATOM 26 C LIG 1 -5.979 -1.082 0.142 0.00 0.00 +0.035 C ATOM 27 C LIG 1 -5.242 -0.933 1.475 0.00 0.00 +0.006 C ATOM 28 C LIG 1 -3.791 -1.339 1.220 0.00 0.00 +0.047 C BRANCH 25 29 ATOM 29 O LIG 1 -5.062 -3.131 -0.748 0.00 0.00 -0.388 OA ATOM 30 H LIG 1 -5.947 -3.381 -1.067 0.00 0.00 +0.210 HD ENDBRANCH 25 29 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 8