REMARK Name = BDB054740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.851 -0.083 1.063 0.00 0.00 +0.176 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.543 -1.121 2.157 0.00 0.00 +0.041 C ATOM 3 C LIG 1 -1.153 -2.484 1.853 0.00 0.00 +0.007 C ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 O LIG 1 -2.280 0.065 1.014 0.00 0.00 -0.488 OA BRANCH 4 8 ATOM 5 C LIG 1 -4.286 0.181 -2.666 0.00 0.00 -0.047 A ATOM 6 C LIG 1 -4.915 -0.279 -1.504 0.00 0.00 +0.019 A ATOM 7 C LIG 1 -4.233 -0.279 -0.278 0.00 0.00 +0.064 A ATOM 8 C LIG 1 -2.892 0.130 -0.207 0.00 0.00 +0.132 A ATOM 9 C LIG 1 -2.271 0.601 -1.368 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -2.961 0.623 -2.586 0.00 0.00 +0.007 A BRANCH 5 12 ATOM 11 C LIG 1 -4.824 -1.147 -4.724 0.00 0.00 +0.009 C ATOM 12 C LIG 1 -5.014 0.169 -3.986 0.00 0.00 +0.032 C ENDBRANCH 5 12 BRANCH 7 13 ATOM 13 C LIG 1 -4.972 -0.782 0.905 0.00 0.00 +0.197 C ATOM 14 O LIG 1 -5.610 -1.829 0.799 0.00 0.00 -0.287 OA BRANCH 13 15 ATOM 15 C LIG 1 -4.994 -0.037 2.192 0.00 0.00 +0.022 A ATOM 16 C LIG 1 -4.845 1.354 2.247 0.00 0.00 +0.012 A ATOM 17 C LIG 1 -4.888 2.014 3.477 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -5.092 1.290 4.652 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -5.258 -0.094 4.601 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -5.214 -0.756 3.374 0.00 0.00 +0.012 A ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 4 8 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 C LIG 1 -0.253 1.292 1.406 0.00 0.00 +0.085 C BRANCH 21 22 ATOM 22 C LIG 1 1.270 1.342 1.334 0.00 0.00 +0.232 C BRANCH 22 23 ATOM 23 O LIG 1 1.673 0.969 0.017 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 3.016 0.884 -0.224 0.00 0.00 +0.121 A ATOM 25 C LIG 1 3.353 0.390 -1.486 0.00 0.00 +0.049 A ATOM 26 C LIG 1 4.693 0.239 -1.885 0.00 0.00 -0.044 A ATOM 27 C LIG 1 4.981 -0.284 -3.265 0.00 0.00 +0.044 C ATOM 28 C LIG 1 5.718 0.607 -0.992 0.00 0.00 -0.044 A ATOM 29 C LIG 1 5.368 1.111 0.273 0.00 0.00 +0.007 A ATOM 30 C LIG 1 4.030 1.249 0.655 0.00 0.00 +0.046 A BRANCH 28 31 ATOM 31 C LIG 1 7.186 0.464 -1.333 0.00 0.00 +0.046 C BRANCH 31 32 ATOM 32 C LIG 1 7.746 -0.919 -1.012 0.00 0.00 +0.125 C BRANCH 32 33 ATOM 33 C LIG 1 7.868 -1.189 0.461 0.00 0.00 +0.305 C ATOM 34 O LIG 1 7.468 -2.182 1.046 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 8.560 -0.244 1.125 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 8.595 -0.587 2.043 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 14