REMARK Name = BDB057461 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.280 0.929 1.526 0.00 0.00 -0.027 A ATOM 2 C LIG 1 -0.109 1.329 0.237 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.383 1.015 -0.254 0.00 0.00 -0.002 A ATOM 4 C LIG 1 -1.831 1.441 -1.631 0.00 0.00 +0.265 C ATOM 5 O LIG 1 -2.797 2.494 -1.578 0.00 0.00 -0.487 OA ATOM 6 C LIG 1 -4.062 2.237 -1.111 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -4.510 1.109 -0.394 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -3.607 -0.016 -0.027 0.00 0.00 -0.000 C ATOM 9 C LIG 1 -3.892 -1.289 -0.407 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -5.074 -1.758 -1.209 0.00 0.00 +0.048 C ATOM 11 C LIG 1 -5.841 1.087 0.070 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -6.720 2.134 -0.207 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -6.279 3.233 -0.935 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -4.956 3.285 -1.374 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -2.281 0.304 0.555 0.00 0.00 -0.010 A ATOM 16 C LIG 1 -1.924 -0.042 1.861 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -0.649 0.263 2.340 0.00 0.00 +0.006 A ENDROOT BRANCH 9 18 ATOM 18 C LIG 1 -2.893 -2.356 -0.189 0.00 0.00 +0.179 A ATOM 19 N LIG 1 -2.937 -3.042 0.951 0.00 0.00 -0.272 N ATOM 20 H LIG 1 -3.550 -2.927 1.737 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -1.905 -3.897 0.917 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -1.582 -4.658 1.815 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -1.265 -3.763 -0.290 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 -1.956 -2.723 -0.990 0.00 0.00 -0.055 NA ENDBRANCH 9 18 BRANCH 1 25 ATOM 25 C LIG 1 1.657 1.240 2.062 0.00 0.00 +0.158 C BRANCH 25 27 ATOM 26 C LIG 1 3.082 -0.409 0.752 0.00 0.00 +0.111 A ATOM 27 N LIG 1 2.726 0.863 1.146 0.00 0.00 -0.329 N ATOM 28 C LIG 1 3.598 1.745 0.558 0.00 0.00 +0.116 A ATOM 29 C LIG 1 4.454 0.971 -0.192 0.00 0.00 +0.089 A ATOM 30 N LIG 1 4.121 -0.356 -0.060 0.00 0.00 -0.232 NA BRANCH 29 31 ATOM 31 C LIG 1 5.560 1.431 -1.017 0.00 0.00 +0.005 A ATOM 32 C LIG 1 5.902 2.780 -1.126 0.00 0.00 +0.030 A ATOM 33 C LIG 1 6.971 3.130 -1.936 0.00 0.00 +0.111 A ATOM 34 N LIG 1 7.712 2.243 -2.633 0.00 0.00 -0.263 NA ATOM 35 C LIG 1 7.365 0.944 -2.513 0.00 0.00 +0.111 A ATOM 36 C LIG 1 6.315 0.496 -1.730 0.00 0.00 +0.030 A ENDBRANCH 29 31 BRANCH 26 37 ATOM 37 C LIG 1 2.356 -1.649 1.174 0.00 0.00 +0.074 C BRANCH 37 39 ATOM 38 C LIG 1 2.421 -4.160 1.381 0.00 0.00 +0.004 C ATOM 39 C LIG 1 3.176 -2.918 0.933 0.00 0.00 +0.004 C ENDBRANCH 37 39 ENDBRANCH 26 37 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 6