REMARK Name = BDB032534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.803 -1.788 0.613 0.00 0.00 -0.009 A ATOM 2 C LIG 1 0.314 -2.218 -0.085 0.00 0.00 +0.118 A ATOM 3 N LIG 1 1.550 -1.667 0.021 0.00 0.00 -0.240 NA ATOM 4 C LIG 1 1.717 -0.605 0.834 0.00 0.00 +0.122 A ATOM 5 C LIG 1 0.647 -0.114 1.581 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -0.613 -0.700 1.467 0.00 0.00 +0.010 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 2.983 -0.005 0.949 0.00 0.00 -0.306 N ATOM 8 C LIG 1 4.058 -0.807 0.309 0.00 0.00 +0.182 C ATOM 9 C LIG 1 5.378 -0.104 0.313 0.00 0.00 +0.151 A ATOM 10 N LIG 1 6.578 -0.562 0.034 0.00 0.00 -0.132 NA ATOM 11 N LIG 1 7.466 0.484 0.156 0.00 0.00 -0.125 NA ATOM 12 C LIG 1 6.792 1.566 0.507 0.00 0.00 +0.238 A ATOM 13 N LIG 1 5.470 1.231 0.598 0.00 0.00 -0.305 N ATOM 14 C LIG 1 4.337 2.053 0.970 0.00 0.00 +0.144 C ATOM 15 C LIG 1 3.006 1.413 0.544 0.00 0.00 +0.128 C BRANCH 12 16 ATOM 16 C LIG 1 7.306 2.929 0.771 0.00 0.00 +0.452 C ATOM 17 F LIG 1 6.887 3.393 1.980 0.00 0.00 -0.163 F ATOM 18 F LIG 1 6.846 3.819 -0.150 0.00 0.00 -0.163 F ATOM 19 F LIG 1 8.659 3.016 0.764 0.00 0.00 -0.163 F ENDBRANCH 12 16 ENDBRANCH 4 7 BRANCH 1 21 ATOM 20 N LIG 1 -2.781 -1.863 -0.816 0.00 0.00 -0.322 N ATOM 21 C LIG 1 -2.179 -2.385 0.433 0.00 0.00 +0.105 C ATOM 22 C LIG 1 -2.229 -3.919 0.276 0.00 0.00 +0.029 C ATOM 23 C LIG 1 -2.504 -4.152 -1.204 0.00 0.00 +0.021 C ATOM 24 C LIG 1 -3.385 -2.966 -1.569 0.00 0.00 +0.106 C BRANCH 20 28 ATOM 25 C LIG 1 -3.353 2.938 -1.444 0.00 0.00 +0.124 A ATOM 26 C LIG 1 -3.880 1.713 -0.958 0.00 0.00 +0.023 A ATOM 27 C LIG 1 -3.109 0.541 -1.149 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -3.580 -0.713 -0.663 0.00 0.00 +0.038 A ATOM 29 C LIG 1 -4.819 -0.770 -0.006 0.00 0.00 +0.024 A ATOM 30 C LIG 1 -5.587 0.374 0.174 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -1.884 0.666 -1.823 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -1.465 1.907 -2.256 0.00 0.00 +0.113 A ATOM 33 C LIG 1 -5.123 1.601 -0.294 0.00 0.00 +0.012 A ATOM 34 N LIG 1 -2.169 3.038 -2.075 0.00 0.00 -0.240 NA BRANCH 25 35 ATOM 35 N LIG 1 -4.057 4.145 -1.294 0.00 0.00 -0.343 N ATOM 36 H LIG 1 -4.224 4.314 -0.308 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 -4.950 4.067 -1.770 0.00 0.00 +0.144 HD ENDBRANCH 25 35 ENDBRANCH 20 28 ENDBRANCH 1 21 TORSDOF 5