REMARK Name = BDB003319 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.448 -1.623 0.735 0.00 0.00 -0.284 N ATOM 2 C LIG 1 -0.193 -1.062 0.386 0.00 0.00 +0.039 A ATOM 3 C LIG 1 0.894 -1.031 1.275 0.00 0.00 -0.025 A ATOM 4 C LIG 1 2.128 -0.500 0.864 0.00 0.00 +0.014 A ATOM 5 C LIG 1 2.300 0.035 -0.421 0.00 0.00 -0.006 A ATOM 6 C LIG 1 1.222 0.024 -1.321 0.00 0.00 +0.027 A ATOM 7 C LIG 1 0.759 -1.552 2.681 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -0.699 -1.582 3.109 0.00 0.00 +0.024 C ATOM 9 C LIG 1 -0.008 -0.519 -0.898 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -1.510 -2.301 2.043 0.00 0.00 +0.113 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.074 0.838 1.002 0.00 0.00 +0.128 A ATOM 12 N LIG 1 -2.925 0.171 1.243 0.00 0.00 -0.226 NA ATOM 13 C LIG 1 -2.664 -0.922 0.491 0.00 0.00 +0.134 A ATOM 14 C LIG 1 -3.549 -1.393 -0.514 0.00 0.00 +0.022 A ATOM 15 C LIG 1 -4.741 -0.667 -0.732 0.00 0.00 -0.012 A ATOM 16 C LIG 1 -5.651 -1.093 -1.715 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -5.391 -2.227 -2.485 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -4.221 -2.950 -2.283 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -3.311 -2.539 -1.308 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -5.000 0.467 0.039 0.00 0.00 +0.041 A BRANCH 11 24 ATOM 21 C LIG 1 -4.826 4.441 1.853 0.00 0.00 +0.128 C ATOM 22 N LIG 1 -4.710 3.183 1.158 0.00 0.00 -0.313 N ATOM 23 H LIG 1 -4.536 3.210 0.162 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 -4.323 2.043 1.849 0.00 0.00 +0.262 C ATOM 25 O LIG 1 -4.183 2.004 3.066 0.00 0.00 -0.269 OA ENDBRANCH 11 24 ENDBRANCH 1 13 BRANCH 5 26 ATOM 26 C LIG 1 3.593 0.585 -0.774 0.00 0.00 +0.020 A ATOM 27 C LIG 1 4.768 -0.137 -0.776 0.00 0.00 +0.117 A ATOM 28 N LIG 1 5.740 0.742 -1.151 0.00 0.00 -0.268 N ATOM 29 N LIG 1 5.288 1.975 -1.421 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 3.979 1.886 -1.169 0.00 0.00 +0.142 A BRANCH 28 31 ATOM 31 C LIG 1 7.162 0.374 -1.305 0.00 0.00 +0.107 C ATOM 32 C LIG 1 7.986 -0.170 -0.161 0.00 0.00 +0.029 C ATOM 33 C LIG 1 8.271 1.202 -0.696 0.00 0.00 +0.029 C ENDBRANCH 28 31 ENDBRANCH 5 26 BRANCH 6 34 ATOM 34 C LIG 1 1.336 0.576 -2.718 0.00 0.00 +0.372 C ATOM 35 F LIG 1 1.349 1.938 -2.740 0.00 0.00 -0.204 F ATOM 36 F LIG 1 0.299 0.212 -3.530 0.00 0.00 -0.204 F ENDBRANCH 6 34 TORSDOF 5