REMARK Name = BDB010235 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.000 -0.819 -0.531 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.654 -1.068 -0.770 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.280 -2.018 -1.706 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.076 -2.110 -1.818 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.555 -1.272 -0.932 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.145 -2.759 -2.414 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.420 -2.492 -2.105 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.543 -0.602 -0.273 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -2.875 -1.577 -1.216 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.864 -1.018 -0.661 0.00 0.00 -0.296 N ATOM 11 C LIG 1 3.452 -1.966 0.315 0.00 0.00 +0.143 C ATOM 12 C LIG 1 4.903 -1.639 0.610 0.00 0.00 -0.027 A ATOM 13 C LIG 1 5.670 -0.853 -0.271 0.00 0.00 -0.041 A ATOM 14 C LIG 1 7.016 -0.591 0.022 0.00 0.00 +0.004 A ATOM 15 C LIG 1 7.606 -1.127 1.166 0.00 0.00 +0.000 A ATOM 16 C LIG 1 6.856 -1.923 2.029 0.00 0.00 +0.000 A ATOM 17 C LIG 1 5.034 -0.241 -1.494 0.00 0.00 +0.054 C ATOM 18 C LIG 1 5.513 -2.180 1.752 0.00 0.00 +0.005 A ATOM 19 C LIG 1 3.716 -0.927 -1.865 0.00 0.00 +0.113 C ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 -2.433 0.166 0.354 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -1.929 1.025 0.152 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 -4.112 1.874 0.761 0.00 0.00 +0.028 C ATOM 23 C LIG 1 -3.880 0.382 0.488 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 -4.426 -0.424 1.671 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -5.965 -0.391 1.905 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -5.845 -1.847 2.398 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -4.595 -1.963 1.504 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 -3.455 -3.300 -2.844 0.00 0.00 +0.375 C ATOM 29 O LIG 1 -3.253 -4.171 -3.675 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 -4.729 -2.980 -2.511 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 -5.269 -3.581 -3.063 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 0.730 0.360 0.804 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 C LIG 1 0.520 1.797 0.376 0.00 0.00 -0.028 A ATOM 34 C LIG 1 1.050 2.301 -0.820 0.00 0.00 +0.006 A ATOM 35 C LIG 1 0.857 3.638 -1.179 0.00 0.00 +0.013 A ATOM 36 C LIG 1 0.139 4.505 -0.344 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -0.362 4.013 0.869 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.168 2.676 1.226 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -0.050 5.955 -0.720 0.00 0.00 +0.417 C ATOM 40 F LIG 1 0.938 6.751 -0.227 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.063 6.162 -2.066 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.219 6.476 -0.253 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 9