REMARK Name = BDB031809 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.012 -0.157 0.138 0.00 0.00 +0.154 A ATOM 2 C LIG 1 -1.693 0.328 0.419 0.00 0.00 +0.041 A ATOM 3 C LIG 1 -0.838 -0.692 0.027 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.556 -0.614 0.139 0.00 0.00 +0.031 A ATOM 5 C LIG 1 1.127 0.561 0.665 0.00 0.00 -0.041 A ATOM 6 C LIG 1 0.266 1.593 1.076 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -1.659 -1.675 -0.447 0.00 0.00 -0.275 N ATOM 8 H LIG 1 -1.390 -2.572 -0.832 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -1.131 1.500 0.958 0.00 0.00 +0.014 A ATOM 10 N LIG 1 -2.964 -1.392 -0.370 0.00 0.00 -0.157 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 2.624 0.673 0.834 0.00 0.00 +0.040 C ATOM 12 C LIG 1 3.566 0.674 -0.353 0.00 0.00 +0.081 C ATOM 13 C LIG 1 4.843 -0.118 -0.326 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.064 -0.622 -1.613 0.00 0.00 +0.038 A ATOM 15 C LIG 1 6.153 -1.399 -1.943 0.00 0.00 +0.027 A ATOM 16 C LIG 1 7.070 -1.689 -0.926 0.00 0.00 +0.048 A ATOM 17 C LIG 1 6.880 -1.198 0.379 0.00 0.00 +0.130 A ATOM 18 N LIG 1 4.038 -0.201 -2.460 0.00 0.00 -0.284 N ATOM 19 H LIG 1 3.973 -0.391 -3.448 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 5.758 -0.407 0.676 0.00 0.00 +0.052 A ATOM 21 C LIG 1 3.122 0.599 -1.797 0.00 0.00 +0.228 C ATOM 22 O LIG 1 2.160 1.166 -2.286 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 3.366 1.934 0.437 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 7.705 -1.412 1.449 0.00 0.00 -0.406 OA BRANCH 24 25 ATOM 25 C LIG 1 8.865 -2.201 1.246 0.00 0.00 +0.575 C ATOM 26 F LIG 1 8.540 -3.450 0.850 0.00 0.00 -0.133 F ATOM 27 F LIG 1 9.684 -1.636 0.333 0.00 0.00 -0.133 F ATOM 28 F LIG 1 9.537 -2.292 2.415 0.00 0.00 -0.133 F ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 29 ATOM 29 N LIG 1 -4.109 0.587 0.405 0.00 0.00 -0.279 N ATOM 30 H LIG 1 -3.986 1.535 0.739 0.00 0.00 +0.155 HD BRANCH 29 32 ATOM 31 C LIG 1 -6.408 1.277 0.568 0.00 0.00 +0.178 A ATOM 32 C LIG 1 -5.467 0.382 0.050 0.00 0.00 +0.170 A ATOM 33 N LIG 1 -5.837 -0.658 -0.722 0.00 0.00 -0.214 NA ATOM 34 C LIG 1 -7.141 -0.812 -0.995 0.00 0.00 +0.128 A ATOM 35 C LIG 1 -7.537 -1.991 -1.826 0.00 0.00 +0.088 C ATOM 36 N LIG 1 -8.118 -0.007 -0.541 0.00 0.00 -0.237 NA ATOM 37 C LIG 1 -7.722 1.024 0.230 0.00 0.00 +0.162 A BRANCH 31 39 ATOM 38 C LIG 1 -6.925 3.168 1.909 0.00 0.00 +0.277 C ATOM 39 O LIG 1 -5.943 2.312 1.335 0.00 0.00 -0.490 OA ENDBRANCH 31 39 ENDBRANCH 29 32 ENDBRANCH 1 29 TORSDOF 6