REMARK Name = BDB064934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.943 1.580 0.674 0.00 0.00 -0.267 N ATOM 2 C LIG 1 -0.457 0.477 -0.129 0.00 0.00 +0.338 A ATOM 3 O LIG 1 -0.952 -0.615 -0.359 0.00 0.00 -0.246 OA ATOM 4 N LIG 1 0.798 0.934 -0.601 0.00 0.00 -0.267 N ATOM 5 C LIG 1 1.067 2.197 -0.118 0.00 0.00 +0.079 A ATOM 6 C LIG 1 2.306 2.861 -0.467 0.00 0.00 +0.080 A ATOM 7 C LIG 1 3.170 2.205 -1.272 0.00 0.00 +0.020 A ATOM 8 C LIG 1 2.862 0.863 -1.767 0.00 0.00 -0.016 A ATOM 9 C LIG 1 1.695 0.292 -1.412 0.00 0.00 +0.101 A ATOM 10 C LIG 1 0.029 2.579 0.642 0.00 0.00 +0.123 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.388 0.630 1.880 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -3.169 0.628 1.168 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -2.182 1.603 1.376 0.00 0.00 +0.051 A ATOM 14 C LIG 1 -2.458 2.614 2.308 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.661 2.638 3.019 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.618 1.649 2.812 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.442 -0.452 1.654 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -7.856 1.121 0.496 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -6.998 0.227 -0.241 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.926 -0.489 0.233 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -5.424 -1.185 -0.773 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -6.166 -0.929 -1.899 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -7.108 -0.082 -1.562 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -4.940 -1.783 2.236 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -5.826 -3.051 2.056 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -4.526 -3.875 2.121 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -3.788 -2.621 1.609 0.00 0.00 +0.004 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 6 28 ATOM 28 C LIG 1 2.568 4.224 0.089 0.00 0.00 +0.419 C ATOM 29 F LIG 1 2.521 4.239 1.446 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.649 5.127 -0.339 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.786 4.719 -0.261 0.00 0.00 -0.166 F ENDBRANCH 6 28 BRANCH 8 32 ATOM 32 C LIG 1 3.863 0.182 -2.670 0.00 0.00 +0.121 C BRANCH 32 33 ATOM 33 N LIG 1 5.189 0.006 -2.057 0.00 0.00 -0.295 NA ATOM 34 C LIG 1 5.138 -0.934 -0.914 0.00 0.00 +0.119 C ATOM 35 C LIG 1 6.516 -1.508 -0.462 0.00 0.00 +0.076 C ATOM 36 C LIG 1 6.715 -2.954 -0.939 0.00 0.00 +0.042 C ATOM 37 C LIG 1 7.646 -0.597 -0.952 0.00 0.00 +0.037 C ATOM 38 C LIG 1 7.598 -0.360 -2.462 0.00 0.00 +0.018 C ATOM 39 C LIG 1 6.182 -0.406 -3.046 0.00 0.00 +0.085 C BRANCH 35 40 ATOM 40 O LIG 1 6.553 -1.535 0.975 0.00 0.00 -0.388 OA ATOM 41 H LIG 1 7.446 -1.810 1.248 0.00 0.00 +0.210 HD ENDBRANCH 35 40 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 8