REMARK Name = BDB027139 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.490 0.432 0.504 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -0.334 0.276 1.720 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.669 0.571 -0.391 0.00 0.00 +0.044 A ATOM 4 C LIG 1 2.057 0.518 -0.021 0.00 0.00 +0.010 A ATOM 5 C LIG 1 2.811 0.700 -1.181 0.00 0.00 +0.048 A ATOM 6 C LIG 1 4.212 0.704 -1.186 0.00 0.00 +0.039 A ATOM 7 C LIG 1 4.876 0.505 0.035 0.00 0.00 +0.039 A ATOM 8 C LIG 1 4.149 0.339 1.217 0.00 0.00 +0.014 A ATOM 9 N LIG 1 1.927 0.869 -2.218 0.00 0.00 -0.360 N ATOM 10 H LIG 1 2.197 1.037 -3.179 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 2.747 0.339 1.198 0.00 0.00 +0.011 A ATOM 12 C LIG 1 0.639 0.785 -1.759 0.00 0.00 +0.095 A BRANCH 7 13 ATOM 13 C LIG 1 6.366 0.507 0.021 0.00 0.00 +0.244 C ATOM 14 N LIG 1 6.996 -0.220 1.012 0.00 0.00 -0.304 N ATOM 15 H LIG 1 6.436 -0.871 1.549 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 6.979 1.099 -0.861 0.00 0.00 -0.270 OA BRANCH 14 17 ATOM 17 C LIG 1 8.475 -0.363 1.024 0.00 0.00 +0.124 C ATOM 18 C LIG 1 9.026 -1.249 2.149 0.00 0.00 +0.184 C ATOM 19 O LIG 1 9.211 -2.360 1.235 0.00 0.00 -0.376 OA ATOM 20 C LIG 1 9.016 -1.468 0.105 0.00 0.00 +0.184 C ENDBRANCH 14 17 ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 C LIG 1 -1.921 0.483 -0.103 0.00 0.00 +0.156 C BRANCH 21 22 ATOM 22 C LIG 1 -2.351 1.905 -0.434 0.00 0.00 -0.023 A ATOM 23 C LIG 1 -2.996 2.173 -1.654 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -3.405 3.469 -1.974 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.185 4.511 -1.077 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -2.565 4.259 0.144 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -2.155 2.964 0.468 0.00 0.00 +0.005 A ENDBRANCH 21 22 BRANCH 21 28 ATOM 28 N LIG 1 -2.911 -0.114 0.834 0.00 0.00 -0.303 NA ATOM 29 H LIG 1 -2.650 0.210 1.771 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -2.895 -1.582 0.834 0.00 0.00 +0.086 C BRANCH 30 31 ATOM 31 C LIG 1 -3.672 -2.217 -0.334 0.00 0.00 +0.050 C BRANCH 31 35 ATOM 32 C LIG 1 -7.968 -1.919 0.054 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -7.220 -0.804 -0.332 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.832 -0.902 -0.459 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -5.175 -2.113 -0.201 0.00 0.00 -0.046 A ATOM 36 C LIG 1 -5.932 -3.226 0.190 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -7.321 -3.131 0.315 0.00 0.00 +0.019 A BRANCH 32 39 ATOM 38 N LIG 1 -10.546 -1.747 0.286 0.00 0.00 -0.191 NA ATOM 39 C LIG 1 -9.392 -1.822 0.184 0.00 0.00 +0.099 C ENDBRANCH 32 39 ENDBRANCH 31 35 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 21 28 ENDBRANCH 1 21 TORSDOF 10