REMARK Name = BDB010981 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.829 -1.194 0.307 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -2.904 -1.097 1.375 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -1.561 -1.037 0.971 0.00 0.00 +0.094 A ATOM 4 C LIG 1 -1.200 -1.078 -0.417 0.00 0.00 +0.032 A ATOM 5 C LIG 1 0.165 -0.996 -0.465 0.00 0.00 +0.123 A ATOM 6 N LIG 1 0.590 -0.910 0.846 0.00 0.00 -0.239 N ATOM 7 C LIG 1 -2.059 -1.179 -1.515 0.00 0.00 +0.066 A ATOM 8 N LIG 1 -0.455 -0.938 1.719 0.00 0.00 -0.166 NA ATOM 9 C LIG 1 -3.408 -1.234 -1.071 0.00 0.00 +0.018 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 1.929 -0.806 1.323 0.00 0.00 +0.066 A ATOM 11 C LIG 1 3.023 -0.790 0.440 0.00 0.00 +0.032 A ATOM 12 C LIG 1 4.360 -0.691 0.894 0.00 0.00 -0.034 A ATOM 13 C LIG 1 4.539 -0.593 2.288 0.00 0.00 +0.004 A ATOM 14 C LIG 1 3.464 -0.606 3.178 0.00 0.00 +0.002 A ATOM 15 C LIG 1 2.162 -0.717 2.700 0.00 0.00 +0.028 A BRANCH 12 16 ATOM 16 C LIG 1 5.603 -0.685 -0.122 0.00 0.00 +0.049 C ATOM 17 C LIG 1 5.540 -1.696 -1.306 0.00 0.00 +0.174 C ATOM 18 O LIG 1 6.947 -2.019 -1.125 0.00 0.00 -0.378 OA ATOM 19 C LIG 1 6.854 -1.537 0.245 0.00 0.00 +0.174 C BRANCH 16 20 ATOM 20 C LIG 1 5.916 0.736 -0.634 0.00 0.00 +0.092 C BRANCH 20 21 ATOM 21 C LIG 1 6.694 1.562 0.334 0.00 0.00 +0.134 A ATOM 22 N LIG 1 7.991 1.974 0.159 0.00 0.00 -0.320 N ATOM 23 C LIG 1 8.855 1.716 -0.961 0.00 0.00 +0.151 C ATOM 24 C LIG 1 8.318 2.684 1.273 0.00 0.00 +0.224 A ATOM 25 N LIG 1 7.292 2.716 2.088 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 6.267 2.020 1.494 0.00 0.00 -0.135 NA ENDBRANCH 20 21 ENDBRANCH 16 20 ENDBRANCH 12 16 ENDBRANCH 6 10 BRANCH 7 27 ATOM 27 C LIG 1 -1.676 -1.210 -2.959 0.00 0.00 +0.418 C ATOM 28 F LIG 1 -1.082 -0.055 -3.369 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -0.789 -2.204 -3.246 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -2.731 -1.404 -3.799 0.00 0.00 -0.166 F ENDBRANCH 7 27 BRANCH 1 31 ATOM 31 C LIG 1 -5.316 -1.262 0.623 0.00 0.00 +0.119 C BRANCH 31 34 ATOM 32 C LIG 1 -8.303 0.625 -0.746 0.00 0.00 +0.078 C ATOM 33 C LIG 1 -7.522 -0.383 0.129 0.00 0.00 +0.101 C ATOM 34 N LIG 1 -6.075 -0.153 0.026 0.00 0.00 -0.297 NA ATOM 35 C LIG 1 -5.702 1.148 0.612 0.00 0.00 +0.085 C ATOM 36 C LIG 1 -6.797 2.220 0.505 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -7.656 2.022 -0.738 0.00 0.00 +0.019 C BRANCH 32 39 ATOM 38 C LIG 1 -10.856 0.749 0.060 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -9.712 0.694 -0.299 0.00 0.00 -0.101 C ENDBRANCH 32 39 ENDBRANCH 31 34 ENDBRANCH 1 31 TORSDOF 8