REMARK Name = BDB057326 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.753 -0.806 -0.182 0.00 0.00 +0.123 A ATOM 2 C LIG 1 -2.067 -0.411 0.970 0.00 0.00 +0.074 A ATOM 3 C LIG 1 -0.680 -0.356 1.030 0.00 0.00 +0.079 A ATOM 4 C LIG 1 0.059 -0.701 -0.109 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.462 -0.611 0.023 0.00 0.00 +0.135 A ATOM 6 N LIG 1 2.044 -0.259 1.186 0.00 0.00 -0.220 NA ATOM 7 C LIG 1 1.230 0.046 2.199 0.00 0.00 +0.223 A ATOM 8 C LIG 1 -0.633 -1.115 -1.277 0.00 0.00 +0.017 A ATOM 9 N LIG 1 -0.106 0.021 2.176 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -2.028 -1.165 -1.311 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 2.277 -0.925 -1.091 0.00 0.00 -0.282 N ATOM 12 H LIG 1 1.922 -0.490 -1.934 0.00 0.00 +0.155 HD BRANCH 11 13 ATOM 13 C LIG 1 3.607 -1.144 -1.149 0.00 0.00 +0.146 A ATOM 14 N LIG 1 4.302 -0.988 -2.278 0.00 0.00 -0.158 NA ATOM 15 N LIG 1 5.561 -1.312 -1.945 0.00 0.00 -0.279 N ATOM 16 H LIG 1 6.290 -1.243 -2.652 0.00 0.00 +0.189 HD ATOM 17 C LIG 1 5.698 -1.691 -0.635 0.00 0.00 +0.047 A ATOM 18 C LIG 1 4.433 -1.602 -0.098 0.00 0.00 +0.068 A BRANCH 17 19 ATOM 19 C LIG 1 7.002 -2.106 -0.053 0.00 0.00 +0.151 C BRANCH 19 20 ATOM 20 C LIG 1 8.101 -1.140 -0.483 0.00 0.00 +0.223 C ATOM 21 N LIG 1 8.506 -0.286 0.528 0.00 0.00 -0.285 N ATOM 22 H LIG 1 7.985 -0.329 1.395 0.00 0.00 +0.155 HD ATOM 23 O LIG 1 8.509 -1.147 -1.643 0.00 0.00 -0.275 OA BRANCH 21 24 ATOM 24 C LIG 1 9.509 0.704 0.462 0.00 0.00 +0.036 A ATOM 25 C LIG 1 10.328 0.914 -0.647 0.00 0.00 +0.061 A ATOM 26 C LIG 1 11.296 1.916 -0.613 0.00 0.00 +0.125 A ATOM 27 F LIG 1 12.080 2.111 -1.682 0.00 0.00 -0.205 F ATOM 28 C LIG 1 11.469 2.717 0.509 0.00 0.00 +0.038 A ATOM 29 C LIG 1 10.660 2.513 1.622 0.00 0.00 +0.005 A ATOM 30 C LIG 1 9.686 1.510 1.598 0.00 0.00 +0.023 A ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 31 ATOM 31 O LIG 1 -4.115 -0.803 -0.067 0.00 0.00 -0.492 OA BRANCH 31 32 ATOM 32 C LIG 1 -4.872 -1.164 -1.222 0.00 0.00 +0.230 C BRANCH 32 33 ATOM 33 C LIG 1 -6.360 -1.072 -0.885 0.00 0.00 +0.056 C BRANCH 33 34 ATOM 34 C LIG 1 -6.769 0.361 -0.515 0.00 0.00 +0.088 C BRANCH 34 35 ATOM 35 N LIG 1 -8.232 0.510 -0.376 0.00 0.00 -0.300 NA BRANCH 35 37 ATOM 36 C LIG 1 -8.160 2.883 0.560 0.00 0.00 +0.020 C ATOM 37 C LIG 1 -8.638 1.920 -0.524 0.00 0.00 +0.081 C ENDBRANCH 35 37 BRANCH 35 38 ATOM 38 C LIG 1 -8.729 -0.117 0.863 0.00 0.00 +0.112 C BRANCH 38 39 ATOM 39 C LIG 1 -10.258 -0.093 1.032 0.00 0.00 +0.171 C BRANCH 39 40 ATOM 40 O LIG 1 -10.648 -0.886 2.152 0.00 0.00 -0.394 OA ATOM 41 H LIG 1 -10.426 -1.809 1.940 0.00 0.00 +0.209 HD ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 14