REMARK Name = BDB029342 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.826 -0.393 -1.529 0.00 0.00 +0.267 C ATOM 2 N LIG 1 -0.489 -0.245 -1.125 0.00 0.00 -0.280 N ATOM 3 H LIG 1 -0.601 0.332 -0.295 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 1.239 -1.017 -2.498 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.940 0.949 -0.002 0.00 0.00 +0.059 A ATOM 6 N LIG 1 3.429 1.655 1.033 0.00 0.00 -0.235 NA ATOM 7 C LIG 1 2.090 1.679 1.198 0.00 0.00 +0.133 A ATOM 8 N LIG 1 1.238 1.028 0.387 0.00 0.00 -0.227 NA ATOM 9 C LIG 1 1.792 0.328 -0.634 0.00 0.00 +0.129 A ATOM 10 C LIG 1 3.142 0.252 -0.880 0.00 0.00 +0.057 A BRANCH 7 11 ATOM 11 C LIG 1 1.514 2.469 2.346 0.00 0.00 +0.057 C ATOM 12 C LIG 1 0.606 3.647 2.064 0.00 0.00 +0.012 C ATOM 13 C LIG 1 1.981 3.881 2.618 0.00 0.00 +0.012 C ENDBRANCH 7 11 BRANCH 5 14 ATOM 14 C LIG 1 5.450 0.926 -0.158 0.00 0.00 +0.140 C BRANCH 14 22 ATOM 15 C LIG 1 9.492 -1.887 -0.278 0.00 0.00 +0.015 C ATOM 16 C LIG 1 7.965 -1.894 -0.358 0.00 0.00 +0.069 C ATOM 17 C LIG 1 7.324 -2.729 0.755 0.00 0.00 +0.254 C ATOM 18 F LIG 1 8.179 -3.695 1.179 0.00 0.00 -0.205 F ATOM 19 F LIG 1 6.245 -3.396 0.257 0.00 0.00 -0.205 F ATOM 20 C LIG 1 6.874 -1.895 1.931 0.00 0.00 +0.091 C ATOM 21 C LIG 1 5.866 -0.839 1.478 0.00 0.00 +0.090 C ATOM 22 N LIG 1 6.045 -0.404 0.079 0.00 0.00 -0.296 NA ATOM 23 C LIG 1 7.449 -0.444 -0.324 0.00 0.00 +0.093 C ENDBRANCH 14 22 ENDBRANCH 5 14 ENDBRANCH 1 9 BRANCH 2 24 ATOM 24 C LIG 1 -1.646 -0.797 -1.703 0.00 0.00 +0.034 A ATOM 25 C LIG 1 -2.876 -0.486 -1.100 0.00 0.00 +0.027 A ATOM 26 C LIG 1 -4.107 -0.995 -1.571 0.00 0.00 -0.039 A ATOM 27 C LIG 1 -4.040 -1.818 -2.712 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -2.827 -2.132 -3.326 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -1.632 -1.626 -2.819 0.00 0.00 +0.023 A BRANCH 26 30 ATOM 30 C LIG 1 -5.540 -0.636 -0.863 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -6.483 -1.885 -0.610 0.00 0.00 +0.030 C ATOM 32 C LIG 1 -5.810 -2.036 0.776 0.00 0.00 +0.093 C ATOM 33 C LIG 1 -5.522 -0.514 0.713 0.00 0.00 +0.030 C BRANCH 32 34 ATOM 34 C LIG 1 -6.663 -2.465 1.860 0.00 0.00 +0.066 C ATOM 35 N LIG 1 -7.327 -2.804 2.750 0.00 0.00 -0.196 NA ENDBRANCH 32 34 BRANCH 30 36 ATOM 36 C LIG 1 -6.139 0.555 -1.643 0.00 0.00 +0.088 C BRANCH 36 37 ATOM 37 C LIG 1 -7.446 1.069 -1.145 0.00 0.00 +0.134 A ATOM 38 N LIG 1 -7.631 2.224 -0.427 0.00 0.00 -0.320 N ATOM 39 C LIG 1 -6.636 3.173 -0.002 0.00 0.00 +0.151 C ATOM 40 C LIG 1 -8.968 2.312 -0.190 0.00 0.00 +0.224 A ATOM 41 N LIG 1 -9.578 1.286 -0.735 0.00 0.00 -0.138 NA ATOM 42 N LIG 1 -8.623 0.510 -1.345 0.00 0.00 -0.135 NA ENDBRANCH 36 37 ENDBRANCH 30 36 ENDBRANCH 26 30 ENDBRANCH 2 24 TORSDOF 9