REMARK Name = BDB046523 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.807 0.046 -1.319 0.00 0.00 -0.265 N ATOM 2 C LIG 1 1.508 -0.860 -0.263 0.00 0.00 +0.078 A ATOM 3 C LIG 1 0.396 -1.704 -0.378 0.00 0.00 +0.143 A ATOM 4 C LIG 1 0.110 -2.654 0.605 0.00 0.00 +0.047 A ATOM 5 C LIG 1 0.911 -2.753 1.738 0.00 0.00 +0.004 A ATOM 6 C LIG 1 2.008 -1.910 1.880 0.00 0.00 +0.002 A ATOM 7 O LIG 1 -0.456 -1.699 -1.448 0.00 0.00 -0.478 OA ATOM 8 C LIG 1 -0.444 -0.491 -2.193 0.00 0.00 +0.262 C ATOM 9 C LIG 1 2.308 -0.973 0.884 0.00 0.00 +0.027 A ATOM 10 C LIG 1 0.909 0.207 -2.368 0.00 0.00 +0.261 C ATOM 11 O LIG 1 1.125 0.934 -3.341 0.00 0.00 -0.271 OA ENDROOT BRANCH 1 12 ATOM 12 C LIG 1 3.043 0.823 -1.339 0.00 0.00 +0.114 C BRANCH 12 13 ATOM 13 C LIG 1 2.859 2.189 -0.668 0.00 0.00 +0.019 C BRANCH 13 14 ATOM 14 C LIG 1 4.140 3.029 -0.643 0.00 0.00 +0.002 C BRANCH 14 15 ATOM 15 C LIG 1 5.264 2.477 0.238 0.00 0.00 +0.011 C BRANCH 15 16 ATOM 16 C LIG 1 4.922 2.484 1.724 0.00 0.00 +0.120 C BRANCH 16 18 ATOM 17 O LIG 1 6.127 0.678 2.805 0.00 0.00 -0.251 OA ATOM 18 C LIG 1 6.031 1.861 2.519 0.00 0.00 +0.305 C BRANCH 18 19 ATOM 19 O LIG 1 6.978 2.744 2.881 0.00 0.00 -0.481 OA ATOM 20 H LIG 1 7.639 2.208 3.368 0.00 0.00 +0.295 HD ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 1 12 BRANCH 8 21 ATOM 21 C LIG 1 -1.447 0.523 -1.615 0.00 0.00 +0.095 C BRANCH 21 22 ATOM 22 C LIG 1 -2.900 0.166 -1.925 0.00 0.00 +0.233 C BRANCH 22 23 ATOM 23 O LIG 1 -3.260 -1.040 -1.248 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 -4.606 -1.167 -1.016 0.00 0.00 +0.124 A ATOM 25 C LIG 1 -4.992 -1.668 0.238 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -6.359 -1.819 0.517 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -7.320 -1.493 -0.441 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -6.926 -1.021 -1.690 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -5.571 -0.864 -1.981 0.00 0.00 +0.046 A BRANCH 25 30 ATOM 30 C LIG 1 -3.962 -2.038 1.279 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 -3.200 -0.866 1.849 0.00 0.00 +0.309 C ATOM 32 O LIG 1 -3.357 0.325 1.639 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 O LIG 1 -2.247 -1.273 2.719 0.00 0.00 -0.480 OA ATOM 34 H LIG 1 -1.800 -0.440 2.977 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 14