REMARK Name = BDB039067 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.372 -0.222 0.435 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.223 -0.931 0.130 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.951 -0.234 0.279 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.764 -0.952 -0.312 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.885 -2.226 -0.914 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.772 -2.857 -1.486 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.503 -2.272 -1.450 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.386 -1.029 -0.819 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.683 -0.187 -0.571 0.00 0.00 -0.326 N ATOM 10 C LIG 1 -0.181 0.977 -0.017 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.109 0.850 0.226 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.240 -2.883 -0.999 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.481 -0.368 -0.277 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.178 -2.387 0.099 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.393 0.979 0.676 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.961 2.240 0.240 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.714 2.754 1.668 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -1.458 4.063 1.926 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -1.098 5.126 0.892 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -1.322 4.626 -0.532 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -0.584 3.314 -0.793 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.692 -0.306 0.743 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.485 -1.006 0.440 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.061 -0.454 -0.961 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 C LIG 1 -2.960 -1.213 0.064 0.00 0.00 +0.107 C ATOM 26 C LIG 1 -2.458 -2.659 0.271 0.00 0.00 +0.030 C BRANCH 25 27 ATOM 27 C LIG 1 -4.431 -1.335 -0.418 0.00 0.00 -0.029 A ATOM 28 C LIG 1 -5.435 -1.716 0.498 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -6.767 -1.857 0.102 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -7.128 -1.630 -1.220 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.156 -1.266 -2.146 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.821 -1.123 -1.752 0.00 0.00 +0.005 A ENDBRANCH 25 27 BRANCH 25 33 ATOM 33 C LIG 1 -2.906 -0.411 1.371 0.00 0.00 +0.317 C ATOM 34 O LIG 1 -3.493 0.637 1.597 0.00 0.00 -0.250 OA BRANCH 33 35 ATOM 35 O LIG 1 -2.089 -0.925 2.309 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -2.107 -0.276 3.045 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 25 33 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 7