REMARK Name = BDB035173 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.390 -2.222 -0.542 0.00 0.00 +0.193 A ATOM 2 N LIG 1 1.923 -3.341 -1.113 0.00 0.00 -0.145 NA ATOM 3 N LIG 1 1.195 -2.870 -2.152 0.00 0.00 -0.220 N ATOM 4 C LIG 1 1.229 -1.477 -2.142 0.00 0.00 +0.160 A ATOM 5 C LIG 1 0.488 -0.759 -3.144 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.169 -1.491 -4.078 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -0.174 -2.945 -4.077 0.00 0.00 +0.020 A ATOM 8 C LIG 1 0.499 -3.595 -3.115 0.00 0.00 +0.115 A ATOM 9 N LIG 1 1.987 -1.059 -1.153 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 2.892 -1.526 1.783 0.00 0.00 +0.232 A ATOM 11 C LIG 1 3.234 -2.210 0.630 0.00 0.00 +0.144 A ATOM 12 C LIG 1 4.451 -2.864 0.687 0.00 0.00 +0.232 A ATOM 13 N LIG 1 5.258 -2.858 1.773 0.00 0.00 -0.201 NA ATOM 14 C LIG 1 4.813 -2.167 2.828 0.00 0.00 +0.229 A ATOM 15 N LIG 1 3.661 -1.493 2.895 0.00 0.00 -0.201 NA BRANCH 10 17 ATOM 16 C LIG 1 1.468 -0.097 2.993 0.00 0.00 +0.279 C ATOM 17 O LIG 1 1.673 -0.871 1.817 0.00 0.00 -0.479 OA ENDBRANCH 10 17 BRANCH 12 18 ATOM 18 O LIG 1 4.894 -3.522 -0.447 0.00 0.00 -0.479 OA ATOM 19 C LIG 1 6.104 -4.246 -0.260 0.00 0.00 +0.279 C ENDBRANCH 12 18 ENDBRANCH 1 11 BRANCH 5 20 ATOM 20 C LIG 1 0.441 0.757 -3.195 0.00 0.00 +0.074 C BRANCH 20 21 ATOM 21 C LIG 1 -0.545 1.341 -2.208 0.00 0.00 -0.043 A ATOM 22 C LIG 1 -0.168 1.571 -0.878 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -1.087 2.076 0.046 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -2.405 2.349 -0.340 0.00 0.00 +0.017 A ATOM 25 C LIG 1 -2.775 2.142 -1.674 0.00 0.00 +0.012 A ATOM 26 C LIG 1 -1.858 1.634 -2.599 0.00 0.00 +0.004 A BRANCH 24 27 ATOM 27 C LIG 1 -3.395 2.861 0.609 0.00 0.00 +0.141 A ATOM 28 N LIG 1 -3.697 2.301 1.833 0.00 0.00 -0.333 N ATOM 29 C LIG 1 -3.158 1.082 2.388 0.00 0.00 +0.150 C ATOM 30 C LIG 1 -4.666 3.064 2.426 0.00 0.00 +0.119 A ATOM 31 C LIG 1 -4.965 4.066 1.522 0.00 0.00 +0.162 A ATOM 32 N LIG 1 -4.174 3.906 0.393 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 -5.967 5.177 1.650 0.00 0.00 +0.436 C ATOM 34 F LIG 1 -6.726 5.045 2.774 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -6.836 5.220 0.605 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -5.377 6.399 1.729 0.00 0.00 -0.164 F ENDBRANCH 31 33 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 5 20 TORSDOF 7