REMARK Name = BDB025785 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.470 -0.738 0.130 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.867 -1.976 0.402 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.621 -3.040 0.722 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.516 -2.153 0.365 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.350 -1.079 0.051 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.766 0.179 -0.229 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.623 0.341 -0.190 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.762 -1.190 0.008 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.266 -2.169 -0.987 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.109 -3.312 -0.347 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.605 -4.228 -1.474 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.249 -2.799 0.459 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.847 -3.843 1.295 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.872 -1.620 1.288 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.638 -0.404 0.751 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.347 -1.335 1.359 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 22 ATOM 17 C LIG 1 6.108 -2.251 -1.062 0.00 0.00 +0.047 C ATOM 18 C LIG 1 5.202 -1.264 -0.384 0.00 0.00 -0.010 A ATOM 19 C LIG 1 5.694 -0.142 0.297 0.00 0.00 +0.124 A ATOM 20 N LIG 1 4.864 0.729 0.912 0.00 0.00 -0.239 NA ATOM 21 C LIG 1 3.529 0.503 0.840 0.00 0.00 +0.121 A ATOM 22 C LIG 1 2.931 -0.562 0.175 0.00 0.00 +0.003 A ATOM 23 C LIG 1 3.811 -1.453 -0.447 0.00 0.00 +0.016 A BRANCH 19 24 ATOM 24 N LIG 1 7.084 0.109 0.322 0.00 0.00 -0.311 N ATOM 25 C LIG 1 7.458 0.886 -0.888 0.00 0.00 +0.134 C ATOM 26 C LIG 1 8.764 1.657 -0.643 0.00 0.00 +0.178 C ATOM 27 O LIG 1 8.662 2.633 0.407 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 7.680 2.285 1.401 0.00 0.00 +0.178 C ATOM 29 C LIG 1 7.520 0.768 1.579 0.00 0.00 +0.134 C ENDBRANCH 19 24 ENDBRANCH 1 22 BRANCH 6 30 ATOM 30 N LIG 1 -1.677 1.208 -0.544 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.641 0.877 -0.521 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.409 2.510 -0.876 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.316 3.048 -0.986 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.649 3.285 -1.161 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.583 3.722 -0.130 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.680 4.419 -0.491 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -4.938 4.741 -1.917 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.937 5.360 -2.256 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.990 4.302 -2.808 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.157 4.535 -3.780 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.869 3.596 -2.448 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.276 3.412 1.301 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -4.141 4.017 2.157 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.033 3.806 1.667 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.369 2.081 1.551 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6