REMARK Name = BDB042811 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.372 -0.806 -0.722 0.00 0.00 +0.093 C ATOM 2 C LIG 1 -1.365 -0.913 0.453 0.00 0.00 +0.087 C ATOM 3 N LIG 1 -1.770 -0.124 1.622 0.00 0.00 -0.339 N ATOM 4 H LIG 1 -1.181 -0.217 2.444 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -2.332 1.134 1.435 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -2.920 1.518 0.227 0.00 0.00 +0.032 A ATOM 7 C LIG 1 -3.506 2.769 0.066 0.00 0.00 +0.054 A ATOM 8 C LIG 1 -3.553 3.666 1.132 0.00 0.00 +0.052 A ATOM 9 C LIG 1 -3.014 3.276 2.349 0.00 0.00 +0.126 A ATOM 10 F LIG 1 -3.063 4.116 3.390 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -4.064 3.121 -1.246 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -4.579 4.215 -1.444 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -3.960 2.161 -2.226 0.00 0.00 -0.242 N ATOM 14 H LIG 1 -4.354 2.380 -3.136 0.00 0.00 +0.192 HD ATOM 15 N LIG 1 -3.431 0.913 -2.077 0.00 0.00 -0.175 NA ATOM 16 C LIG 1 -2.419 2.024 2.511 0.00 0.00 +0.062 A ATOM 17 C LIG 1 -2.943 0.593 -0.913 0.00 0.00 +0.080 A ENDROOT BRANCH 1 22 ATOM 18 C LIG 1 -5.421 -3.901 -0.521 0.00 0.00 +0.055 A ATOM 19 C LIG 1 -5.562 -2.742 0.242 0.00 0.00 +0.057 A ATOM 20 C LIG 1 -4.590 -1.746 0.176 0.00 0.00 +0.128 A ATOM 21 F LIG 1 -4.769 -0.652 0.926 0.00 0.00 -0.205 F ATOM 22 C LIG 1 -3.462 -1.873 -0.644 0.00 0.00 -0.001 A ATOM 23 C LIG 1 -3.330 -3.048 -1.405 0.00 0.00 +0.008 A ATOM 24 C LIG 1 -4.302 -4.052 -1.346 0.00 0.00 +0.019 A BRANCH 18 26 ATOM 25 N LIG 1 -7.217 -5.768 -0.408 0.00 0.00 -0.191 NA ATOM 26 C LIG 1 -6.415 -4.930 -0.459 0.00 0.00 +0.099 C ENDBRANCH 18 26 ENDBRANCH 1 22 BRANCH 2 27 ATOM 27 C LIG 1 0.104 -0.627 0.025 0.00 0.00 +0.013 C ATOM 28 C LIG 1 0.419 0.810 -0.407 0.00 0.00 +0.021 C ATOM 29 C LIG 1 1.850 0.925 -0.960 0.00 0.00 +0.085 C ATOM 30 N LIG 1 2.794 -0.026 -0.355 0.00 0.00 -0.299 NA ATOM 31 C LIG 1 2.458 -0.322 1.032 0.00 0.00 +0.085 C ATOM 32 C LIG 1 1.126 -1.085 1.093 0.00 0.00 +0.021 C BRANCH 30 33 ATOM 33 C LIG 1 4.201 0.314 -0.629 0.00 0.00 +0.057 C ATOM 34 C LIG 1 4.748 1.514 0.179 0.00 0.00 +0.024 C ATOM 35 C LIG 1 6.264 1.606 0.030 0.00 0.00 +0.077 C ATOM 36 C LIG 1 6.953 0.372 0.599 0.00 0.00 +0.249 C ATOM 37 F LIG 1 7.401 0.643 1.853 0.00 0.00 -0.206 F ATOM 38 F LIG 1 8.056 0.112 -0.149 0.00 0.00 -0.206 F ATOM 39 C LIG 1 6.077 -0.870 0.661 0.00 0.00 +0.077 C ATOM 40 C LIG 1 5.112 -0.936 -0.518 0.00 0.00 +0.024 C ENDBRANCH 30 33 ENDBRANCH 2 27 TORSDOF 4