REMARK Name = BDB035725 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.144 0.378 0.856 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.062 0.875 1.358 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.297 1.760 2.160 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.139 0.103 0.725 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.506 0.230 0.899 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.341 -0.632 0.176 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.768 -1.583 -0.705 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.374 -1.698 -0.870 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.572 -0.832 -0.132 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.083 -0.708 -0.092 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.893 0.648 0.927 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.583 0.231 0.612 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.451 0.830 1.188 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.664 1.877 2.092 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.955 2.311 2.409 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.064 1.701 1.831 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.109 -0.026 0.297 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -5.658 -1.660 2.894 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.303 -2.205 1.611 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.054 -1.523 0.447 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -4.734 -2.401 -0.486 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -4.780 -3.657 0.068 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.122 -3.523 1.327 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.211 0.392 -1.183 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -5.536 1.879 -1.491 0.00 0.00 +0.008 C ATOM 26 C LIG 1 -6.968 1.482 -1.897 0.00 0.00 -0.013 C ATOM 27 C LIG 1 -8.068 1.839 -0.910 0.00 0.00 +0.007 C ATOM 28 C LIG 1 -6.523 0.007 -1.917 0.00 0.00 +0.008 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.768 -2.710 -1.805 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.685 -3.465 -2.468 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.995 -2.127 -2.762 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.958 -3.587 -1.153 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.846 -0.533 0.307 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.419 0.066 -0.899 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.906 0.924 -1.103 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.876 0.252 -0.790 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.193 1.464 0.131 0.00 0.00 +0.022 C ATOM 38 C LIG 1 9.142 1.977 -0.972 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.313 1.156 -1.984 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.676 -1.027 -0.630 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8