REMARK Name = BDB024657 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.633 -0.445 0.484 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.436 -1.006 0.001 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.569 -2.392 -0.488 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.758 -3.371 0.683 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.424 -2.826 -1.398 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.099 -2.626 -0.695 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.974 -1.196 -0.254 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.689 -0.614 -0.144 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.465 -1.198 -0.346 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.434 -0.263 -0.116 0.00 0.00 +0.112 A ATOM 11 N LIG 1 0.178 0.939 0.193 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.542 0.723 0.198 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.646 1.537 0.441 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.917 0.947 0.351 0.00 0.00 +0.026 A ATOM 15 C LIG 1 4.117 -0.412 0.056 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.742 -0.923 0.246 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.508 2.204 0.445 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.165 3.287 -0.588 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -1.035 4.541 -0.423 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -1.495 4.793 1.022 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -0.490 4.221 2.023 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -0.329 2.702 1.891 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -2.747 4.137 1.257 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -3.871 4.935 0.905 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 7.698 1.148 1.844 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.480 0.630 1.306 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -1.920 -0.463 -0.188 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -2.313 -1.940 -0.369 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.783 -2.081 -0.743 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -4.805 -1.629 0.102 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -6.140 -1.766 -0.276 0.00 0.00 +0.165 A ATOM 32 F LIG 1 -7.089 -1.316 0.560 0.00 0.00 -0.202 F ATOM 33 C LIG 1 -6.499 -2.354 -1.492 0.00 0.00 +0.155 A ATOM 34 C LIG 1 -5.485 -2.810 -2.335 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -4.141 -2.675 -1.964 0.00 0.00 +0.008 A BRANCH 33 36 ATOM 36 O LIG 1 -7.842 -2.427 -1.746 0.00 0.00 -0.492 OA ATOM 37 C LIG 1 -8.240 -3.055 -2.957 0.00 0.00 +0.277 C ENDBRANCH 33 36 ENDBRANCH 28 29 BRANCH 28 38 ATOM 38 C LIG 1 -1.992 -2.724 0.891 0.00 0.00 +0.313 C ATOM 39 O LIG 1 -2.083 -2.327 2.043 0.00 0.00 -0.250 OA BRANCH 38 40 ATOM 40 O LIG 1 -1.637 -4.003 0.641 0.00 0.00 -0.480 OA ATOM 41 H LIG 1 -1.454 -4.370 1.530 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 28 38 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 9