REMARK Name = BDB025985 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.554 1.084 -0.508 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.932 -0.187 -0.576 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.459 -0.312 -0.470 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.279 0.818 -0.297 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.643 2.067 -0.242 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.367 3.184 -0.068 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.742 2.206 -0.342 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.699 0.927 2.111 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.104 1.184 0.722 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.536 2.520 0.236 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.861 2.450 -0.385 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.556 3.154 -0.681 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.821 4.257 0.091 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.571 2.195 -1.409 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.965 1.153 -0.551 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.563 1.021 0.798 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.738 0.684 -0.182 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.640 1.527 -0.798 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.986 1.416 -0.712 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.485 0.420 0.034 0.00 0.00 +0.218 A ATOM 21 N LIG 1 4.696 -0.454 0.679 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.358 -0.303 0.557 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 6.849 0.302 0.161 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.394 -0.861 0.854 0.00 0.00 +0.139 C ATOM 25 C LIG 1 8.899 -0.658 1.152 0.00 0.00 +0.133 C ATOM 26 C LIG 1 9.131 0.369 2.258 0.00 0.00 +0.039 C ATOM 27 O LIG 1 9.695 -0.269 0.017 0.00 0.00 -0.374 OA ATOM 28 C LIG 1 8.928 0.090 -1.138 0.00 0.00 +0.179 C ATOM 29 C LIG 1 7.711 0.969 -0.813 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.797 -1.279 -0.791 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.762 -0.987 -0.931 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.510 -2.616 -0.704 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.454 -3.141 -0.378 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.700 -3.469 -0.977 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -3.373 -4.208 0.084 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -4.434 -4.980 -0.220 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -4.917 -5.080 -1.621 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.883 -5.771 -1.913 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.215 -4.347 -2.549 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.541 -4.427 -3.506 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.130 -3.562 -2.245 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.853 -4.055 1.483 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -3.592 -4.780 2.370 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -2.967 -2.760 1.888 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6