REMARK Name = BDB035904 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.679 0.078 3.948 0.00 0.00 +0.050 C ATOM 2 C LIG 1 2.759 0.309 2.467 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.669 0.027 1.630 0.00 0.00 +0.144 A ATOM 4 C LIG 1 1.758 0.255 0.256 0.00 0.00 +0.065 A ATOM 5 C LIG 1 0.602 -0.054 -0.606 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -0.613 -0.586 0.071 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -0.541 -0.755 1.401 0.00 0.00 +0.208 A ATOM 8 O LIG 1 0.662 0.130 -1.816 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 2.932 0.774 -0.303 0.00 0.00 +0.023 A ATOM 10 C LIG 1 4.029 1.074 0.517 0.00 0.00 +0.003 A ATOM 11 O LIG 1 0.530 -0.475 2.212 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 3.924 0.835 1.893 0.00 0.00 +0.134 A ATOM 13 F LIG 1 4.966 1.126 2.687 0.00 0.00 -0.205 F ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 -1.838 -0.945 -0.668 0.00 0.00 -0.011 A ATOM 15 C LIG 1 -3.095 -0.449 -0.269 0.00 0.00 +0.013 A ATOM 16 C LIG 1 -4.294 -0.767 -0.946 0.00 0.00 -0.033 A ATOM 17 C LIG 1 -4.162 -1.618 -2.064 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -2.927 -2.117 -2.481 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -1.770 -1.779 -1.785 0.00 0.00 +0.009 A BRANCH 16 20 ATOM 20 C LIG 1 -5.745 -0.207 -0.510 0.00 0.00 +0.056 C ATOM 21 C LIG 1 -5.860 0.949 0.548 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -5.823 1.955 -0.626 0.00 0.00 -0.012 C ATOM 23 C LIG 1 -6.677 3.198 -0.480 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -6.397 0.822 -1.511 0.00 0.00 +0.022 C BRANCH 20 25 ATOM 25 C LIG 1 -6.703 -1.415 -0.155 0.00 0.00 +0.144 A ATOM 26 N LIG 1 -6.546 -2.332 0.849 0.00 0.00 -0.320 N ATOM 27 C LIG 1 -5.481 -2.416 1.809 0.00 0.00 +0.151 C ATOM 28 C LIG 1 -7.604 -3.182 0.751 0.00 0.00 +0.224 A ATOM 29 N LIG 1 -8.370 -2.816 -0.249 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 -7.799 -1.705 -0.826 0.00 0.00 -0.134 NA ENDBRANCH 20 25 ENDBRANCH 16 20 ENDBRANCH 6 14 BRANCH 10 31 ATOM 31 C LIG 1 5.306 1.613 -0.074 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 6.081 0.535 -0.690 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 5.557 0.162 -1.481 0.00 0.00 +0.123 HD BRANCH 32 34 ATOM 34 C LIG 1 7.456 0.945 -1.031 0.00 0.00 +0.017 C ATOM 35 C LIG 1 8.204 -0.338 -1.501 0.00 0.00 +0.022 C ATOM 36 C LIG 1 8.622 -0.589 -0.038 0.00 0.00 +0.004 C ATOM 37 C LIG 1 8.348 0.903 0.242 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.562 2.130 -1.968 0.00 0.00 +0.027 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 6