REMARK Name = BDB028189 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.979 -2.162 -0.081 0.00 0.00 +0.078 A ATOM 2 N LIG 1 -1.592 -3.295 -0.577 0.00 0.00 -0.266 N ATOM 3 C LIG 1 -3.005 -3.535 -0.765 0.00 0.00 +0.173 C ATOM 4 N LIG 1 -0.731 -4.282 -0.892 0.00 0.00 -0.179 NA ATOM 5 C LIG 1 0.464 -3.769 -0.603 0.00 0.00 +0.143 A ATOM 6 C LIG 1 0.380 -2.454 -0.096 0.00 0.00 +0.027 A ENDROOT BRANCH 6 7 ATOM 7 C LIG 1 1.440 -1.578 0.366 0.00 0.00 -0.014 A ATOM 8 C LIG 1 1.555 -0.268 -0.125 0.00 0.00 +0.019 A ATOM 9 C LIG 1 2.568 0.578 0.345 0.00 0.00 +0.012 A ATOM 10 C LIG 1 3.486 0.094 1.274 0.00 0.00 +0.050 A ATOM 11 C LIG 1 4.578 0.969 1.732 0.00 0.00 +0.272 A ATOM 12 N LIG 1 4.620 2.223 1.175 0.00 0.00 -0.242 N ATOM 13 H LIG 1 5.367 2.842 1.475 0.00 0.00 +0.192 HD ATOM 14 N LIG 1 3.722 2.738 0.293 0.00 0.00 -0.174 NA ATOM 15 O LIG 1 5.400 0.586 2.556 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 3.390 -1.216 1.757 0.00 0.00 +0.014 A ATOM 17 C LIG 1 2.735 1.986 -0.099 0.00 0.00 +0.083 A ATOM 18 C LIG 1 2.366 -2.048 1.305 0.00 0.00 +0.009 A BRANCH 17 19 ATOM 19 C LIG 1 1.731 2.610 -1.068 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 2.222 2.466 -2.438 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 2.380 1.486 -2.663 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 3.135 2.921 -2.501 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 6 7 BRANCH 1 25 ATOM 23 C LIG 1 -2.942 1.099 0.054 0.00 0.00 +0.138 A ATOM 24 C LIG 1 -2.290 -0.037 -0.469 0.00 0.00 +0.102 A ATOM 25 C LIG 1 -1.696 -0.975 0.401 0.00 0.00 +0.022 A ATOM 26 C LIG 1 -1.757 -0.761 1.785 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -2.403 0.360 2.300 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -2.994 1.286 1.440 0.00 0.00 +0.047 A BRANCH 23 30 ATOM 29 C LIG 1 -4.115 3.141 -0.376 0.00 0.00 +0.277 C ATOM 30 O LIG 1 -3.491 1.959 -0.862 0.00 0.00 -0.494 OA ENDBRANCH 23 30 BRANCH 24 31 ATOM 31 C LIG 1 -2.223 -0.223 -1.893 0.00 0.00 +0.103 C ATOM 32 N LIG 1 -2.161 -0.409 -3.037 0.00 0.00 -0.191 NA ENDBRANCH 24 31 ENDBRANCH 1 25 TORSDOF 6