REMARK Name = BDB035747 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.420 1.815 0.379 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.079 0.533 0.627 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.487 -0.525 0.827 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.544 0.631 0.610 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.478 -0.370 0.808 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.833 -0.023 0.742 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.199 1.319 0.469 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.234 2.325 0.270 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.897 1.949 0.347 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.661 2.772 0.176 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.184 1.635 0.410 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.826 1.270 0.512 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.790 2.192 0.298 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.147 3.514 -0.007 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.487 3.897 -0.106 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.498 2.965 0.098 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.313 0.630 0.621 0.00 0.00 +0.093 C BRANCH 17 22 ATOM 18 C LIG 1 -3.484 -2.136 -3.846 0.00 0.00 +0.109 C ATOM 19 C LIG 1 -4.432 -0.971 -3.750 0.00 0.00 +0.212 C ATOM 20 N LIG 1 -5.007 -0.790 -2.520 0.00 0.00 -0.301 N ATOM 21 C LIG 1 -5.627 0.435 -2.031 0.00 0.00 +0.113 C ATOM 22 C LIG 1 -5.580 -0.220 -0.632 0.00 0.00 +0.038 C ATOM 23 C LIG 1 -4.518 -1.188 -1.204 0.00 0.00 +0.113 C ATOM 24 O LIG 1 -4.657 -0.236 -4.710 0.00 0.00 -0.276 OA ENDBRANCH 17 22 BRANCH 17 25 ATOM 25 C LIG 1 -5.133 -0.240 1.837 0.00 0.00 +0.141 A ATOM 26 N LIG 1 -5.018 0.210 3.129 0.00 0.00 -0.320 N ATOM 27 C LIG 1 -5.031 1.568 3.602 0.00 0.00 +0.151 C ATOM 28 C LIG 1 -4.884 -0.898 3.909 0.00 0.00 +0.224 A ATOM 29 N LIG 1 -4.931 -1.971 3.157 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 -5.087 -1.560 1.857 0.00 0.00 -0.134 NA ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 3.623 3.748 -0.025 0.00 0.00 +0.418 C ATOM 32 F LIG 1 4.964 3.972 -0.010 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.085 4.622 0.871 0.00 0.00 -0.166 F ATOM 34 F LIG 1 3.183 4.158 -1.246 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 4.905 -1.076 0.930 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 5.556 -1.367 -0.348 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 4.828 -1.563 -1.037 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 6.565 -2.433 -0.229 0.00 0.00 +0.017 C ATOM 39 C LIG 1 6.957 -2.858 -1.678 0.00 0.00 +0.022 C ATOM 40 C LIG 1 6.812 -4.324 -1.216 0.00 0.00 +0.004 C ATOM 41 C LIG 1 5.870 -3.819 -0.104 0.00 0.00 +0.022 C ATOM 42 C LIG 1 7.736 -2.110 0.682 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 8