REMARK Name = BDB035600 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.230 0.991 0.398 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.456 1.335 0.979 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.719 1.999 1.964 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.508 0.736 0.146 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.879 0.788 0.313 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.684 0.133 -0.630 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.076 -0.567 -1.700 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.676 -0.611 -1.855 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.907 0.057 -0.906 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.422 0.185 -0.800 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.514 1.290 0.620 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.218 0.959 0.172 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.063 1.341 0.878 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.238 2.066 2.061 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.515 2.390 2.530 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.646 2.002 1.818 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.731 0.847 -0.194 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -4.612 3.639 -1.579 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.736 3.099 -0.861 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.832 1.880 -0.232 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -7.030 1.799 0.315 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -7.715 2.957 0.044 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.925 3.729 -0.660 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.188 -0.589 0.204 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -5.656 -0.739 1.670 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -6.619 -1.909 1.889 0.00 0.00 +0.000 C ATOM 27 C LIG 1 -6.328 -3.067 0.947 0.00 0.00 +0.000 C ATOM 28 C LIG 1 -6.476 -2.658 -0.519 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -6.227 -1.168 -0.771 0.00 0.00 +0.004 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 2.027 -1.353 -2.992 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.227 -0.545 -3.741 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.911 -1.917 -3.858 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.226 -2.363 -2.556 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 6.190 0.143 -0.477 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.603 -0.846 0.518 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 6.142 -1.731 0.310 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 8.068 -0.942 0.637 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.377 -2.210 1.490 0.00 0.00 +0.022 C ATOM 39 C LIG 1 9.442 -2.579 0.434 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.653 -1.720 -0.576 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.758 0.328 1.102 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8