REMARK Name = BDB006487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.550 -4.348 -2.605 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.937 -3.613 -1.368 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.048 -3.005 -0.428 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.825 -2.425 0.577 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.243 -1.743 1.662 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.151 -1.647 1.719 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.948 -2.207 0.719 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.150 -2.673 0.260 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.357 -2.899 -0.348 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.230 -3.399 -0.914 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.525 -3.821 -1.522 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.433 -2.110 0.753 0.00 0.00 +0.244 C ATOM 13 N LIG 1 -3.956 -0.985 1.357 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.335 -0.211 1.559 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -4.125 -2.972 0.227 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.398 -0.724 1.392 0.00 0.00 +0.114 C ATOM 17 C LIG 1 -5.693 0.276 2.510 0.00 0.00 +0.032 C BRANCH 16 18 ATOM 18 C LIG 1 -5.982 -0.364 -0.006 0.00 0.00 +0.231 C ATOM 19 O LIG 1 -7.411 -0.193 0.056 0.00 0.00 -0.480 OA ATOM 20 C LIG 1 -7.820 1.112 0.115 0.00 0.00 +0.163 A ATOM 21 C LIG 1 -6.950 2.202 0.043 0.00 0.00 +0.162 A ATOM 22 C LIG 1 -7.438 3.501 0.179 0.00 0.00 +0.049 A ATOM 23 C LIG 1 -8.806 3.713 0.355 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -9.681 2.627 0.403 0.00 0.00 +0.004 A ATOM 25 O LIG 1 -5.598 2.063 -0.127 0.00 0.00 -0.485 OA ATOM 26 C LIG 1 -9.187 1.326 0.285 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -5.304 0.802 -0.729 0.00 0.00 +0.275 C ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 3.292 -2.274 1.086 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 4.048 -1.094 0.524 0.00 0.00 -0.028 A ATOM 30 C LIG 1 3.396 0.092 0.160 0.00 0.00 +0.006 A ATOM 31 C LIG 1 4.120 1.186 -0.322 0.00 0.00 +0.009 A ATOM 32 C LIG 1 5.516 1.130 -0.439 0.00 0.00 -0.017 A ATOM 33 C LIG 1 6.168 -0.054 -0.068 0.00 0.00 +0.009 A ATOM 34 C LIG 1 5.445 -1.150 0.413 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 6.274 2.275 -0.961 0.00 0.00 -0.004 A ATOM 36 C LIG 1 7.061 3.123 -0.155 0.00 0.00 +0.067 A ATOM 37 C LIG 1 7.792 4.175 -0.737 0.00 0.00 +0.015 A ATOM 38 C LIG 1 7.745 4.395 -2.113 0.00 0.00 +0.001 A ATOM 39 C LIG 1 6.968 3.571 -2.918 0.00 0.00 +0.001 A ATOM 40 C LIG 1 6.241 2.523 -2.349 0.00 0.00 +0.009 A BRANCH 36 41 ATOM 41 C LIG 1 7.111 2.960 1.321 0.00 0.00 +0.337 C ATOM 42 O LIG 1 6.221 2.587 2.061 0.00 0.00 -0.245 OA BRANCH 41 43 ATOM 43 O LIG 1 8.325 3.280 1.811 0.00 0.00 -0.477 OA ATOM 44 H LIG 1 8.231 3.120 2.774 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 36 41 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 8