REMARK Name = BDB026185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.483 0.629 0.045 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.095 -0.707 0.299 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.058 -1.714 0.416 0.00 0.00 +0.038 A ATOM 4 C LIG 1 2.431 -1.423 0.302 0.00 0.00 +0.037 A ATOM 5 C LIG 1 2.795 -0.090 0.069 0.00 0.00 +0.134 A ATOM 6 F LIG 1 4.088 0.261 -0.009 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.844 0.923 -0.061 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -0.075 5.142 1.396 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -0.063 4.077 0.294 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -0.946 4.513 -0.824 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -0.227 5.389 -1.753 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -1.527 3.355 -1.543 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -0.663 2.078 -1.492 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -0.528 1.611 -0.090 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -0.466 2.705 0.913 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.442 -2.483 0.417 0.00 0.00 +0.074 A ATOM 17 N LIG 1 4.397 -2.497 -0.545 0.00 0.00 -0.243 NA ATOM 18 C LIG 1 5.359 -3.463 -0.508 0.00 0.00 +0.144 A ATOM 19 C LIG 1 5.387 -4.431 0.496 0.00 0.00 +0.032 A ATOM 20 C LIG 1 4.401 -4.415 1.475 0.00 0.00 +0.004 A ATOM 21 C LIG 1 3.416 -3.433 1.436 0.00 0.00 +0.028 A BRANCH 18 22 ATOM 22 C LIG 1 6.453 -3.469 -1.567 0.00 0.00 +0.434 C ATOM 23 F LIG 1 6.162 -2.745 -2.685 0.00 0.00 -0.164 F ATOM 24 F LIG 1 7.637 -2.977 -1.098 0.00 0.00 -0.164 F ATOM 25 F LIG 1 6.740 -4.730 -2.014 0.00 0.00 -0.164 F ENDBRANCH 18 22 ENDBRANCH 4 16 BRANCH 2 26 ATOM 26 N LIG 1 -1.294 -0.923 0.423 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -1.822 -0.062 0.281 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -1.943 -2.079 0.770 0.00 0.00 +0.250 C ATOM 29 O LIG 1 -1.442 -3.157 1.064 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -3.423 -1.908 0.844 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -4.276 -1.649 -0.311 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -5.607 -1.531 -0.132 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -6.205 -1.660 1.221 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -7.410 -1.541 1.394 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -5.323 -1.920 2.239 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -5.731 -2.027 3.160 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -3.967 -2.050 2.064 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -3.653 -1.556 -1.668 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -2.827 -2.594 -1.938 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -4.581 -1.532 -2.661 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -2.930 -0.415 -1.800 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 6