REMARK Name = BDB021338 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.059 1.866 2.940 0.00 0.00 +0.159 A ATOM 2 N LIG 1 -0.055 1.607 2.182 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.374 0.882 1.165 0.00 0.00 +0.151 A ATOM 4 N LIG 1 1.732 0.642 1.260 0.00 0.00 -0.270 N ATOM 5 C LIG 1 2.444 -0.129 0.317 0.00 0.00 +0.202 A ATOM 6 N LIG 1 1.807 -0.633 -0.704 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 0.454 -0.396 -0.814 0.00 0.00 +0.126 A ATOM 8 C LIG 1 -0.303 0.332 0.036 0.00 0.00 +0.043 A ATOM 9 C LIG 1 2.179 1.286 2.391 0.00 0.00 +0.134 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -1.754 0.483 -0.233 0.00 0.00 -0.013 A ATOM 11 C LIG 1 -2.685 0.314 0.805 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -4.056 0.466 0.572 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -4.513 0.777 -0.711 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -3.599 0.985 -1.746 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -2.229 0.836 -1.508 0.00 0.00 +0.009 A BRANCH 13 16 ATOM 16 C LIG 1 -5.956 0.966 -0.987 0.00 0.00 +0.247 C ATOM 17 N LIG 1 -6.856 -0.014 -0.585 0.00 0.00 -0.293 N ATOM 18 C LIG 1 -8.284 0.231 -0.781 0.00 0.00 +0.136 C ATOM 19 C LIG 1 -9.125 -0.695 0.101 0.00 0.00 +0.179 C ATOM 20 O LIG 1 -8.878 -2.092 -0.120 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 -7.585 -2.377 -0.669 0.00 0.00 +0.179 C ATOM 22 C LIG 1 -6.501 -1.391 -0.217 0.00 0.00 +0.136 C ATOM 23 O LIG 1 -6.301 1.991 -1.570 0.00 0.00 -0.270 OA ENDBRANCH 13 16 ENDBRANCH 8 10 BRANCH 1 25 ATOM 24 N LIG 1 0.973 3.273 5.116 0.00 0.00 -0.189 NA ATOM 25 C LIG 1 0.990 2.649 4.136 0.00 0.00 +0.121 C ENDBRANCH 1 25 BRANCH 5 26 ATOM 26 N LIG 1 3.796 -0.322 0.505 0.00 0.00 -0.310 N ATOM 27 H LIG 1 4.150 -0.235 1.451 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 4.530 -1.294 -0.286 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 6.002 -1.118 -0.050 0.00 0.00 +0.012 A ATOM 30 C LIG 1 6.712 -0.034 -0.558 0.00 0.00 +0.005 A ATOM 31 C LIG 1 6.240 1.134 -1.341 0.00 0.00 +0.080 C ATOM 32 C LIG 1 7.592 1.703 -1.774 0.00 0.00 +0.234 C ATOM 33 O LIG 1 8.611 1.251 -0.852 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 8.067 0.122 -0.296 0.00 0.00 +0.124 A ATOM 35 C LIG 1 8.776 -0.776 0.476 0.00 0.00 +0.049 A ATOM 36 C LIG 1 8.088 -1.874 0.991 0.00 0.00 +0.042 A ATOM 37 C LIG 1 6.721 -2.035 0.728 0.00 0.00 +0.129 A ATOM 38 F LIG 1 6.089 -3.092 1.258 0.00 0.00 -0.205 F ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6