REMARK Name = BDB041152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.464 -0.853 0.295 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -4.148 -1.746 -0.451 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -3.362 -2.438 -1.302 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -1.998 -2.236 -1.401 0.00 0.00 +0.192 A ATOM 5 O LIG 1 -1.460 -3.073 -2.334 0.00 0.00 -0.458 OA ATOM 6 C LIG 1 -2.494 -3.806 -2.835 0.00 0.00 +0.198 A ATOM 7 C LIG 1 -1.350 -1.292 -0.616 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -3.681 -3.452 -2.231 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -2.131 -0.601 0.249 0.00 0.00 -0.209 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -4.884 -0.580 2.322 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -4.241 -0.041 1.217 0.00 0.00 +0.102 A ATOM 12 C LIG 1 -4.389 1.337 1.052 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -5.111 2.082 1.931 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -5.684 1.444 2.957 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -5.609 0.136 3.205 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -3.753 2.082 -0.111 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -4.276 1.879 -1.516 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -4.512 3.183 -0.817 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -5.499 -2.426 3.646 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -4.732 -1.938 2.550 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 7 21 ATOM 21 N LIG 1 0.015 -1.050 -0.711 0.00 0.00 -0.321 N ATOM 22 H LIG 1 0.520 -1.809 -1.155 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.646 -0.473 0.463 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 C LIG 1 2.147 -0.442 0.363 0.00 0.00 +0.008 A ATOM 25 S LIG 1 2.935 0.860 -0.422 0.00 0.00 -0.089 S ATOM 26 C LIG 1 4.488 0.197 -0.133 0.00 0.00 +0.055 A ATOM 27 C LIG 1 4.401 -1.010 0.532 0.00 0.00 +0.019 A ATOM 28 C LIG 1 3.053 -1.377 0.822 0.00 0.00 +0.013 A BRANCH 26 29 ATOM 29 C LIG 1 5.670 0.876 -0.581 0.00 0.00 +0.148 A ATOM 30 N LIG 1 6.794 1.118 0.173 0.00 0.00 -0.333 N ATOM 31 C LIG 1 6.987 0.811 1.570 0.00 0.00 +0.150 C ATOM 32 C LIG 1 7.703 1.770 -0.617 0.00 0.00 +0.119 A ATOM 33 C LIG 1 7.090 1.927 -1.848 0.00 0.00 +0.162 A ATOM 34 N LIG 1 5.821 1.367 -1.796 0.00 0.00 -0.223 NA BRANCH 33 35 ATOM 35 C LIG 1 7.626 2.585 -3.086 0.00 0.00 +0.436 C ATOM 36 F LIG 1 6.910 3.683 -3.443 0.00 0.00 -0.164 F ATOM 37 F LIG 1 7.637 1.748 -4.157 0.00 0.00 -0.164 F ATOM 38 F LIG 1 8.912 3.005 -2.916 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 8