REMARK Name = BDB026289 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.960 -0.480 0.105 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.613 0.796 0.608 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.712 1.091 0.944 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.731 0.130 0.801 0.00 0.00 +0.037 A ATOM 5 C LIG 1 1.365 -1.129 0.302 0.00 0.00 +0.134 A ATOM 6 F LIG 1 2.278 -2.103 0.162 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.048 -1.434 -0.046 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.027 -3.283 0.612 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.247 -2.300 -0.268 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.060 -2.718 -1.685 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -4.011 -4.159 -1.915 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.867 -2.075 -2.291 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.537 -0.681 -1.717 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.310 -0.722 -0.247 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.917 -1.895 0.431 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.126 0.443 1.149 0.00 0.00 +0.076 A ATOM 17 N LIG 1 4.062 0.023 0.263 0.00 0.00 -0.232 NA ATOM 18 C LIG 1 5.367 0.270 0.502 0.00 0.00 +0.122 A ATOM 19 C LIG 1 5.765 0.974 1.638 0.00 0.00 +0.044 A ATOM 20 C LIG 1 4.809 1.413 2.547 0.00 0.00 +0.005 A ATOM 21 C LIG 1 3.470 1.143 2.303 0.00 0.00 +0.028 A BRANCH 18 22 ATOM 22 N LIG 1 6.348 -0.186 -0.405 0.00 0.00 -0.311 N ATOM 23 C LIG 1 5.798 -0.642 -1.704 0.00 0.00 +0.134 C ATOM 24 C LIG 1 5.612 -2.166 -1.711 0.00 0.00 +0.178 C ATOM 25 O LIG 1 6.850 -2.884 -1.537 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 7.840 -2.132 -0.817 0.00 0.00 +0.178 C ATOM 27 C LIG 1 7.237 -1.188 0.236 0.00 0.00 +0.134 C ENDBRANCH 18 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.681 1.709 0.730 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.559 1.307 0.402 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.661 2.975 1.256 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.718 3.553 1.779 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.997 3.634 1.201 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.644 4.059 -0.036 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.852 4.655 0.026 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -5.521 4.879 1.332 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -6.623 5.405 1.397 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.823 4.462 2.438 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -5.270 4.631 3.332 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -3.590 3.860 2.384 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -2.928 3.856 -1.335 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -2.866 2.541 -1.667 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.554 4.477 -2.370 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.660 4.329 -1.313 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6