REMARK Name = BDB045165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.101 0.209 -0.158 0.00 0.00 -0.039 A ATOM 2 C LIG 1 -0.993 0.949 -0.608 0.00 0.00 +0.049 A ATOM 3 C LIG 1 0.319 0.574 -0.294 0.00 0.00 +0.121 A ATOM 4 C LIG 1 0.531 -0.559 0.488 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -0.557 -1.301 0.951 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.862 -0.920 0.634 0.00 0.00 +0.004 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -6.140 -1.345 1.081 0.00 0.00 +0.403 C ATOM 8 N LIG 1 -5.239 -0.404 0.657 0.00 0.00 -0.267 N ATOM 9 C LIG 1 -4.575 -0.396 -0.635 0.00 0.00 +0.119 C ATOM 10 C LIG 1 -3.496 0.693 -0.525 0.00 0.00 +0.042 C ATOM 11 C LIG 1 -4.062 1.647 0.557 0.00 0.00 +0.026 C ATOM 12 C LIG 1 -4.821 0.700 1.497 0.00 0.00 +0.115 C ATOM 13 O LIG 1 -6.663 -1.338 2.188 0.00 0.00 -0.226 OA BRANCH 7 14 ATOM 14 O LIG 1 -6.383 -2.277 0.121 0.00 0.00 -0.451 OA BRANCH 14 16 ATOM 15 C LIG 1 -8.734 -2.854 0.175 0.00 0.00 +0.048 C ATOM 16 C LIG 1 -7.317 -3.308 0.472 0.00 0.00 +0.230 C ENDBRANCH 14 16 ENDBRANCH 7 14 BRANCH 11 17 ATOM 17 C LIG 1 -4.999 2.695 -0.069 0.00 0.00 +0.126 C BRANCH 17 18 ATOM 18 C LIG 1 -5.436 3.733 0.931 0.00 0.00 +0.305 C ATOM 19 O LIG 1 -5.101 3.822 2.099 0.00 0.00 -0.251 OA BRANCH 18 20 ATOM 20 O LIG 1 -6.288 4.623 0.389 0.00 0.00 -0.481 OA ATOM 21 H LIG 1 -6.501 5.232 1.128 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 11 17 ENDBRANCH 1 10 BRANCH 3 22 ATOM 22 O LIG 1 1.279 1.394 -0.817 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 2.652 1.118 -0.527 0.00 0.00 +0.235 C BRANCH 23 24 ATOM 24 C LIG 1 3.228 0.119 -1.529 0.00 0.00 +0.100 C BRANCH 24 25 ATOM 25 C LIG 1 4.611 -0.288 -1.179 0.00 0.00 +0.086 A ATOM 26 C LIG 1 5.089 -1.512 -0.762 0.00 0.00 +0.126 A ATOM 27 C LIG 1 4.486 -2.831 -0.507 0.00 0.00 +0.088 C ATOM 28 O LIG 1 6.433 -1.389 -0.554 0.00 0.00 -0.440 OA ATOM 29 C LIG 1 6.709 -0.082 -0.864 0.00 0.00 +0.228 A ATOM 30 N LIG 1 5.650 0.613 -1.238 0.00 0.00 -0.214 NA BRANCH 29 31 ATOM 31 C LIG 1 8.099 0.349 -0.737 0.00 0.00 +0.037 A ATOM 32 C LIG 1 9.113 -0.524 -0.314 0.00 0.00 +0.013 A ATOM 33 C LIG 1 10.435 -0.084 -0.203 0.00 0.00 +0.001 A ATOM 34 C LIG 1 10.760 1.235 -0.514 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.766 2.114 -0.936 0.00 0.00 +0.001 A ATOM 36 C LIG 1 8.445 1.673 -1.046 0.00 0.00 +0.013 A ENDBRANCH 29 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 11