REMARK Name = BDB031893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.641 2.095 -1.372 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.865 2.259 -0.208 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.596 1.670 -0.159 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.051 0.946 -1.209 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.239 0.529 -0.747 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -1.466 0.969 0.494 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 0.810 0.797 -2.384 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.354 1.642 0.821 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.305 2.065 1.740 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.088 1.377 -2.446 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.596 -0.742 1.787 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.455 0.016 0.615 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.089 1.246 0.517 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.157 2.292 -0.560 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.018 2.713 -1.466 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.079 3.345 0.011 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.443 2.923 1.278 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.065 3.452 1.869 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.421 4.369 -0.557 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.190 1.924 -2.015 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.874 1.688 1.592 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.039 0.969 2.756 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.385 -0.263 2.850 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.987 -2.734 2.942 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.920 -1.933 1.770 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.068 -0.207 -1.525 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -1.763 -0.435 -2.468 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.354 -0.747 -1.299 0.00 0.00 +0.095 A ATOM 29 C LIG 1 -4.017 -1.422 -2.336 0.00 0.00 +0.236 A ATOM 30 N LIG 1 -5.248 -1.972 -2.239 0.00 0.00 -0.219 NA ATOM 31 C LIG 1 -5.871 -1.848 -1.046 0.00 0.00 +0.121 A ATOM 32 C LIG 1 -5.337 -1.198 0.063 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -4.046 -0.654 -0.091 0.00 0.00 +0.036 A BRANCH 32 34 ATOM 34 C LIG 1 -6.063 -1.089 1.397 0.00 0.00 +0.087 C ATOM 35 C LIG 1 -7.572 -1.363 1.329 0.00 0.00 +0.046 C ATOM 36 C LIG 1 -5.426 -2.031 2.425 0.00 0.00 +0.046 C BRANCH 34 37 ATOM 37 O LIG 1 -5.942 0.245 1.911 0.00 0.00 -0.384 OA ATOM 38 H LIG 1 -5.792 0.847 1.161 0.00 0.00 +0.211 HD ENDBRANCH 34 37 ENDBRANCH 32 34 BRANCH 29 39 ATOM 39 O LIG 1 -3.325 -1.515 -3.539 0.00 0.00 -0.478 OA ATOM 40 C LIG 1 -4.055 -2.208 -4.546 0.00 0.00 +0.279 C ENDBRANCH 29 39 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 7