REMARK Name = BDB026918 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.394 -0.611 1.686 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -1.366 0.301 2.520 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.534 0.925 0.098 0.00 0.00 -0.042 A ATOM 4 C LIG 1 3.074 -0.240 -0.540 0.00 0.00 +0.030 A ATOM 5 C LIG 1 1.804 -0.730 -0.202 0.00 0.00 +0.047 A ATOM 6 C LIG 1 0.978 -0.114 0.737 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.234 -0.882 0.824 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -0.091 -1.935 -0.064 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.451 1.054 1.369 0.00 0.00 +0.011 A ATOM 10 N LIG 1 1.135 -1.835 -0.666 0.00 0.00 -0.360 N ATOM 11 H LIG 1 1.505 -2.482 -1.350 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 2.717 1.558 1.044 0.00 0.00 +0.004 A BRANCH 3 17 ATOM 13 C LIG 1 7.591 0.493 -2.592 0.00 0.00 +0.104 C ATOM 14 N LIG 1 7.490 1.603 -1.647 0.00 0.00 -0.305 NA ATOM 15 C LIG 1 7.398 1.146 -0.255 0.00 0.00 +0.084 C ATOM 16 C LIG 1 6.042 0.541 0.116 0.00 0.00 +0.023 C ATOM 17 C LIG 1 4.900 1.512 -0.221 0.00 0.00 +0.021 C ATOM 18 C LIG 1 5.001 1.975 -1.681 0.00 0.00 +0.023 C ATOM 19 C LIG 1 6.398 2.524 -1.983 0.00 0.00 +0.084 C ENDBRANCH 3 17 ENDBRANCH 1 7 BRANCH 1 20 ATOM 20 C LIG 1 -2.665 -1.493 1.530 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 -2.528 -2.825 2.258 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -1.958 -2.915 3.539 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -1.851 -4.148 4.185 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.324 -5.304 3.568 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -2.913 -5.229 2.308 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.020 -3.997 1.659 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -3.872 -0.786 2.039 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 -3.602 -0.386 2.943 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.309 0.314 1.170 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -5.093 -0.174 -0.057 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -5.586 0.980 -0.897 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -4.769 1.534 -1.892 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.219 2.613 -2.658 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.490 3.150 -2.434 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -7.307 2.606 -1.438 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -6.856 1.528 -0.673 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -6.953 4.256 -3.221 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -7.328 5.149 -3.860 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 9