REMARK Name = BDB037695 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.944 -2.263 -0.192 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.768 -1.147 0.011 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -1.288 0.135 0.212 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -2.420 0.984 0.336 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.542 0.255 0.222 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.178 0.431 0.235 0.00 0.00 +0.057 C ATOM 7 C LIG 1 0.861 -0.819 0.837 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -3.137 -1.025 0.033 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.440 -2.097 0.058 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.275 -2.948 -0.271 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.417 2.446 0.575 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.576 3.185 0.350 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.587 4.616 0.513 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.990 5.114 0.314 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.859 3.915 0.050 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.303 5.295 1.641 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -4.886 2.722 -0.163 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.392 3.011 0.966 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -4.828 2.369 -1.598 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -4.810 2.098 -2.728 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -4.185 -2.036 -0.043 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -5.219 -1.907 1.083 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -6.236 -3.041 0.996 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -6.369 -3.569 -0.326 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -6.301 -2.560 -1.328 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.879 -2.021 -1.414 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.321 -0.706 0.882 0.00 0.00 -0.299 N ATOM 28 H LIG 1 2.784 -0.732 -0.019 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.033 -1.173 1.966 0.00 0.00 +0.245 C ATOM 30 O LIG 1 2.510 -1.538 3.013 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 4.513 -1.245 1.803 0.00 0.00 +0.038 A ATOM 32 C LIG 1 5.199 -0.425 0.892 0.00 0.00 +0.036 A ATOM 33 C LIG 1 6.590 -0.510 0.743 0.00 0.00 +0.037 A ATOM 34 C LIG 1 7.282 -1.423 1.556 0.00 0.00 +0.023 A ATOM 35 C LIG 1 6.609 -2.229 2.479 0.00 0.00 +0.003 A ATOM 36 C LIG 1 5.226 -2.140 2.604 0.00 0.00 +0.013 A BRANCH 33 37 ATOM 37 N LIG 1 7.287 0.303 -0.192 0.00 0.00 -0.271 N ATOM 38 C LIG 1 6.713 1.054 -1.232 0.00 0.00 +0.220 C ATOM 39 O LIG 1 5.535 1.187 -1.529 0.00 0.00 -0.275 OA ATOM 40 C LIG 1 7.837 1.660 -2.038 0.00 0.00 +0.098 C ATOM 41 C LIG 1 9.024 1.570 -1.101 0.00 0.00 +0.029 C ATOM 42 C LIG 1 8.729 0.332 -0.281 0.00 0.00 +0.114 C ENDBRANCH 33 37 ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 43 ATOM 43 C LIG 1 0.722 0.771 -1.147 0.00 0.00 -0.001 C ATOM 44 C LIG 1 1.950 1.634 -1.303 0.00 0.00 +0.004 C ATOM 45 C LIG 1 0.606 2.171 -1.699 0.00 0.00 +0.004 C ENDBRANCH 6 43 BRANCH 1 47 ATOM 46 C LIG 1 -1.479 -4.631 0.287 0.00 0.00 +0.025 C ATOM 47 C LIG 1 -1.343 -3.542 -0.769 0.00 0.00 +0.112 C ENDBRANCH 1 47 TORSDOF 8