REMARK Name = BDB025686 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.075 0.931 -0.282 0.00 0.00 +0.022 A ATOM 2 C LIG 1 1.261 2.046 -0.516 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.792 3.279 -0.520 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.113 1.934 -0.731 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.747 0.692 -0.707 0.00 0.00 +0.054 A ATOM 6 C LIG 1 0.071 -0.455 -0.528 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.450 -0.327 -0.302 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.128 0.557 -0.850 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.883 1.340 -1.842 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.885 2.378 -1.247 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.264 3.778 -1.129 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.606 1.900 -0.051 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.565 2.844 0.504 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.774 1.215 0.957 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -2.927 2.114 1.868 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.900 0.101 0.325 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 6.217 1.298 0.410 0.00 0.00 +0.221 A ATOM 18 N LIG 1 5.673 2.063 -0.548 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 4.341 1.925 -0.746 0.00 0.00 +0.124 A ATOM 20 C LIG 1 3.520 1.061 -0.043 0.00 0.00 +0.021 A ATOM 21 C LIG 1 4.204 0.331 0.912 0.00 0.00 +0.124 A ATOM 22 N LIG 1 5.529 0.431 1.154 0.00 0.00 -0.222 NA BRANCH 17 25 ATOM 23 C LIG 1 9.829 1.288 1.369 0.00 0.00 +0.109 C ATOM 24 C LIG 1 8.390 0.844 1.469 0.00 0.00 +0.216 C ATOM 25 N LIG 1 7.580 1.488 0.570 0.00 0.00 -0.255 N ATOM 26 H LIG 1 7.952 2.174 -0.065 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 8.068 -0.018 2.278 0.00 0.00 -0.276 OA ENDBRANCH 17 25 ENDBRANCH 1 20 BRANCH 6 28 ATOM 28 N LIG 1 -0.570 -1.708 -0.674 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -1.542 -1.617 -0.956 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -0.027 -2.962 -0.549 0.00 0.00 +0.250 C ATOM 31 O LIG 1 1.112 -3.264 -0.225 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -1.006 -4.033 -0.882 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -1.929 -4.601 0.091 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -2.776 -5.575 -0.298 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -2.772 -6.066 -1.699 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -3.543 -6.942 -2.066 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -1.861 -5.471 -2.537 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -1.847 -5.819 -3.490 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -0.991 -4.484 -2.146 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -1.899 -4.082 1.494 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -2.782 -4.728 2.301 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.240 -2.768 1.540 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -0.683 -4.205 2.074 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 6 28 TORSDOF 6