REMARK Name = BDB022753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.705 -1.045 1.462 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -1.764 -0.240 0.285 0.00 0.00 +0.080 A ATOM 3 C LIG 1 -1.168 -1.029 -0.683 0.00 0.00 +0.122 A ATOM 4 N LIG 1 -0.814 -2.199 -0.083 0.00 0.00 -0.266 N ATOM 5 N LIG 1 -1.149 -2.246 1.220 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -2.256 1.107 0.047 0.00 0.00 +0.248 C ATOM 7 N LIG 1 -3.285 1.513 0.852 0.00 0.00 -0.306 N ATOM 8 H LIG 1 -3.753 0.867 1.470 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 -1.823 1.807 -0.863 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 -3.962 2.775 0.649 0.00 0.00 +0.163 C BRANCH 10 11 ATOM 11 C LIG 1 -5.230 2.858 1.469 0.00 0.00 +0.093 A ATOM 12 C LIG 1 -6.006 4.016 1.415 0.00 0.00 +0.149 A ATOM 13 F LIG 1 -5.631 5.057 0.660 0.00 0.00 -0.203 F ATOM 14 C LIG 1 -7.179 4.092 2.150 0.00 0.00 +0.080 A ATOM 15 C LIG 1 -7.547 2.998 2.917 0.00 0.00 +0.144 A ATOM 16 F LIG 1 -8.674 3.029 3.637 0.00 0.00 -0.204 F ATOM 17 C LIG 1 -6.732 1.875 2.937 0.00 0.00 +0.149 A ATOM 18 N LIG 1 -5.580 1.775 2.232 0.00 0.00 -0.253 NA ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 19 ATOM 19 C LIG 1 -2.105 -0.702 2.866 0.00 0.00 +0.217 C BRANCH 19 21 ATOM 20 C LIG 1 -0.120 0.344 3.634 0.00 0.00 +0.194 C ATOM 21 O LIG 1 -1.507 0.510 3.353 0.00 0.00 -0.377 OA ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 4 22 ATOM 22 C LIG 1 -0.179 -3.351 -0.714 0.00 0.00 +0.178 C BRANCH 22 23 ATOM 23 C LIG 1 1.221 -3.047 -1.188 0.00 0.00 -0.026 A ATOM 24 C LIG 1 1.555 -3.189 -2.542 0.00 0.00 +0.006 A ATOM 25 C LIG 1 2.854 -2.925 -2.984 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.842 -2.505 -2.084 0.00 0.00 -0.028 A ATOM 27 C LIG 1 3.511 -2.369 -0.729 0.00 0.00 +0.006 A ATOM 28 C LIG 1 2.216 -2.644 -0.284 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 5.242 -2.188 -2.564 0.00 0.00 +0.160 C BRANCH 29 30 ATOM 30 N LIG 1 5.558 -0.763 -2.483 0.00 0.00 -0.311 N ATOM 31 C LIG 1 6.499 -0.336 -1.546 0.00 0.00 +0.252 A ATOM 32 O LIG 1 7.107 -1.073 -0.774 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 6.771 1.129 -1.513 0.00 0.00 +0.070 A ATOM 34 C LIG 1 6.128 1.956 -2.348 0.00 0.00 +0.007 A ATOM 35 C LIG 1 5.163 1.441 -3.283 0.00 0.00 +0.018 A ATOM 36 C LIG 1 4.910 0.127 -3.328 0.00 0.00 +0.089 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 9