REMARK Name = BDB065286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.716 1.003 -0.029 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -1.850 1.690 1.159 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -0.756 2.526 1.668 0.00 0.00 +0.164 C ATOM 4 C LIG 1 -1.438 3.507 2.623 0.00 0.00 +0.062 C ATOM 5 C LIG 1 -2.656 2.727 3.108 0.00 0.00 +0.184 C ATOM 6 C LIG 1 -3.093 1.966 1.873 0.00 0.00 +0.137 C ATOM 7 O LIG 1 -0.651 1.040 -0.658 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 0.260 1.616 2.389 0.00 0.00 +0.234 C ATOM 9 N LIG 1 1.128 0.971 1.536 0.00 0.00 -0.310 N ATOM 10 H LIG 1 0.857 0.936 0.551 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 0.244 1.428 3.603 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 2.007 -0.061 2.025 0.00 0.00 +0.139 C BRANCH 12 13 ATOM 13 C LIG 1 2.959 -0.508 0.949 0.00 0.00 -0.030 A ATOM 14 C LIG 1 4.122 0.226 0.683 0.00 0.00 +0.006 A ATOM 15 C LIG 1 4.995 -0.170 -0.334 0.00 0.00 +0.009 A ATOM 16 C LIG 1 4.716 -1.302 -1.111 0.00 0.00 -0.010 A ATOM 17 C LIG 1 3.550 -2.031 -0.849 0.00 0.00 +0.009 A ATOM 18 C LIG 1 2.677 -1.637 0.169 0.00 0.00 +0.006 A BRANCH 16 19 ATOM 19 C LIG 1 5.629 -1.730 -2.170 0.00 0.00 +0.042 A ATOM 20 C LIG 1 6.316 -2.926 -2.335 0.00 0.00 +0.053 A ATOM 21 C LIG 1 6.310 -4.096 -1.417 0.00 0.00 +0.067 C ATOM 22 N LIG 1 7.086 -3.007 -3.488 0.00 0.00 -0.252 NA ATOM 23 C LIG 1 6.983 -1.887 -4.167 0.00 0.00 +0.156 A ATOM 24 S LIG 1 5.970 -0.684 -3.493 0.00 0.00 -0.075 S ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 5 25 ATOM 25 S LIG 1 -3.944 3.743 3.750 0.00 0.00 +0.122 S ATOM 26 F LIG 1 -5.185 2.770 3.974 0.00 0.00 -0.061 F ATOM 27 O LIG 1 -3.564 4.187 5.075 0.00 0.00 -0.143 OA ATOM 28 O LIG 1 -4.369 4.676 2.728 0.00 0.00 -0.143 OA ENDBRANCH 5 25 BRANCH 1 29 ATOM 29 C LIG 1 -2.906 0.151 -0.536 0.00 0.00 +0.164 C BRANCH 29 32 ATOM 30 C LIG 1 -3.729 1.895 -3.799 0.00 0.00 +0.109 C ATOM 31 C LIG 1 -3.826 1.548 -2.338 0.00 0.00 +0.211 C ATOM 32 N LIG 1 -3.047 0.477 -1.957 0.00 0.00 -0.304 N ATOM 33 H LIG 1 -2.232 0.294 -2.533 0.00 0.00 +0.149 HD ATOM 34 O LIG 1 -4.535 2.176 -1.558 0.00 0.00 -0.276 OA ENDBRANCH 29 32 BRANCH 29 35 ATOM 35 C LIG 1 -2.707 -1.380 -0.293 0.00 0.00 -0.011 C ATOM 36 C LIG 1 -2.567 -1.671 1.214 0.00 0.00 +0.013 C ATOM 37 C LIG 1 -1.468 -1.950 -1.011 0.00 0.00 +0.013 C ATOM 38 C LIG 1 -3.951 -2.138 -0.806 0.00 0.00 +0.013 C ENDBRANCH 29 35 ENDBRANCH 1 29 TORSDOF 8