REMARK Name = BDB026541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.394 0.381 -1.558 0.00 0.00 +0.076 C ATOM 2 C LIG 1 -0.179 0.565 -0.030 0.00 0.00 +0.037 C ATOM 3 C LIG 1 -1.441 0.948 0.767 0.00 0.00 +0.055 C ATOM 4 C LIG 1 -1.848 2.410 0.571 0.00 0.00 +0.024 C ATOM 5 N LIG 1 -2.617 0.111 0.465 0.00 0.00 -0.295 NA ATOM 6 C LIG 1 -2.381 -0.899 -0.565 0.00 0.00 +0.086 C ATOM 7 C LIG 1 -1.798 -0.230 -1.808 0.00 0.00 +0.034 C ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -0.266 1.730 -2.279 0.00 0.00 +0.311 C ATOM 9 O LIG 1 0.228 2.735 -1.788 0.00 0.00 -0.250 OA BRANCH 8 10 ATOM 10 O LIG 1 -0.697 1.731 -3.561 0.00 0.00 -0.480 OA ATOM 11 H LIG 1 -1.044 0.885 -3.897 0.00 0.00 +0.295 HD ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 12 ATOM 12 C LIG 1 0.690 -0.573 -2.141 0.00 0.00 +0.076 C BRANCH 12 15 ATOM 13 C LIG 1 3.983 -0.077 -0.528 0.00 0.00 +0.124 A ATOM 14 N LIG 1 2.703 -0.460 -0.757 0.00 0.00 -0.234 NA ATOM 15 C LIG 1 2.121 -0.137 -1.942 0.00 0.00 +0.079 A ATOM 16 C LIG 1 2.796 0.560 -2.933 0.00 0.00 +0.145 A ATOM 17 F LIG 1 2.210 0.838 -4.104 0.00 0.00 -0.204 F ATOM 18 C LIG 1 4.096 0.967 -2.697 0.00 0.00 +0.043 A ATOM 19 C LIG 1 4.694 0.651 -1.477 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 20 N LIG 1 4.485 -0.452 0.712 0.00 0.00 -0.283 N ATOM 21 H LIG 1 3.725 -0.836 1.262 0.00 0.00 +0.155 HD BRANCH 20 27 ATOM 22 C LIG 1 9.361 -0.462 1.719 0.00 0.00 +0.065 C ATOM 23 C LIG 1 7.884 -0.497 1.705 0.00 0.00 +0.035 A ATOM 24 N LIG 1 7.143 -0.703 2.833 0.00 0.00 -0.280 N ATOM 25 H LIG 1 7.472 -0.846 3.782 0.00 0.00 +0.189 HD ATOM 26 N LIG 1 5.823 -0.732 2.610 0.00 0.00 -0.158 NA ATOM 27 C LIG 1 5.693 -0.489 1.302 0.00 0.00 +0.146 A ATOM 28 C LIG 1 6.962 -0.365 0.689 0.00 0.00 +0.068 A ENDBRANCH 20 27 ENDBRANCH 13 20 ENDBRANCH 12 15 ENDBRANCH 1 12 BRANCH 5 29 ATOM 29 C LIG 1 -3.201 -0.460 1.691 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 C LIG 1 -4.600 -1.009 1.490 0.00 0.00 -0.033 A ATOM 31 C LIG 1 -5.622 -0.184 0.993 0.00 0.00 +0.017 A ATOM 32 C LIG 1 -6.925 -0.674 0.812 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -7.195 -2.012 1.131 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -6.189 -2.838 1.633 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -4.899 -2.338 1.814 0.00 0.00 +0.005 A BRANCH 32 36 ATOM 36 C LIG 1 -8.002 0.217 0.245 0.00 0.00 +0.417 C ATOM 37 F LIG 1 -7.988 0.244 -1.117 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -7.892 1.514 0.646 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -9.260 -0.172 0.596 0.00 0.00 -0.166 F ENDBRANCH 32 36 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 9