REMARK Name = BDB000355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.475 -1.149 0.317 0.00 0.00 -0.003 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.469 -2.149 -0.352 0.00 0.00 -0.014 C ATOM 3 C LIG 1 1.380 -2.204 -1.878 0.00 0.00 +0.007 C ATOM 4 C LIG 1 1.411 -3.557 0.246 0.00 0.00 +0.007 C ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 0.962 0.322 0.132 0.00 0.00 +0.039 C BRANCH 5 6 ATOM 6 C LIG 1 2.245 0.657 0.859 0.00 0.00 -0.043 A ATOM 7 C LIG 1 3.435 0.873 0.148 0.00 0.00 +0.053 A ATOM 8 C LIG 1 4.628 1.172 0.819 0.00 0.00 +0.163 A ATOM 9 C LIG 1 4.629 1.284 2.223 0.00 0.00 +0.162 A ATOM 10 C LIG 1 3.442 1.075 2.931 0.00 0.00 +0.049 A ATOM 11 C LIG 1 2.261 0.760 2.254 0.00 0.00 +0.007 A BRANCH 9 12 ATOM 12 O LIG 1 5.834 1.597 2.801 0.00 0.00 -0.491 OA ATOM 13 C LIG 1 5.883 1.675 4.219 0.00 0.00 +0.277 C ENDBRANCH 9 12 BRANCH 8 14 ATOM 14 O LIG 1 5.834 1.381 0.197 0.00 0.00 -0.484 OA BRANCH 14 15 ATOM 15 C LIG 1 5.930 1.064 -1.189 0.00 0.00 +0.264 C BRANCH 15 16 ATOM 16 C LIG 1 7.362 1.198 -1.663 0.00 0.00 -0.010 A ATOM 17 C LIG 1 7.834 0.381 -2.701 0.00 0.00 +0.007 A ATOM 18 C LIG 1 9.142 0.514 -3.172 0.00 0.00 +0.000 A ATOM 19 C LIG 1 9.989 1.473 -2.620 0.00 0.00 +0.000 A ATOM 20 C LIG 1 9.529 2.300 -1.599 0.00 0.00 +0.000 A ATOM 21 C LIG 1 8.221 2.169 -1.127 0.00 0.00 +0.007 A ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 C LIG 1 -1.010 -1.201 -0.146 0.00 0.00 +0.025 C BRANCH 22 23 ATOM 23 C LIG 1 -1.813 -2.466 0.238 0.00 0.00 +0.080 C BRANCH 23 24 ATOM 24 N LIG 1 -1.780 -3.448 -0.854 0.00 0.00 -0.325 NA ATOM 25 H LIG 1 -2.339 -4.263 -0.604 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 -2.180 -3.058 -1.703 0.00 0.00 +0.119 HD ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 -3.282 -2.143 0.674 0.00 0.00 +0.132 C BRANCH 27 28 ATOM 28 O LIG 1 -3.222 -1.370 1.874 0.00 0.00 -0.390 OA ATOM 29 H LIG 1 -4.093 -1.422 2.321 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -4.104 -1.399 -0.403 0.00 0.00 +0.045 C BRANCH 30 31 ATOM 31 C LIG 1 -5.617 -1.264 -0.124 0.00 0.00 +0.074 C ATOM 32 C LIG 1 -6.304 -2.619 0.050 0.00 0.00 +0.017 C BRANCH 31 35 ATOM 33 N LIG 1 -5.879 0.979 0.939 0.00 0.00 -0.315 N ATOM 34 H LIG 1 -6.040 1.466 1.814 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 -5.865 -0.375 1.087 0.00 0.00 +0.216 C ATOM 36 O LIG 1 -5.963 -0.851 2.221 0.00 0.00 -0.276 OA BRANCH 33 37 ATOM 37 C LIG 1 -5.926 1.762 -0.281 0.00 0.00 +0.104 C BRANCH 37 38 ATOM 38 C LIG 1 -7.346 1.904 -0.829 0.00 0.00 +0.018 C BRANCH 38 40 ATOM 39 C LIG 1 -7.936 4.044 0.436 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -8.330 2.611 0.108 0.00 0.00 -0.002 C ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 33 37 ENDBRANCH 31 35 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 27 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 18