REMARK Name = BDB010820 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.694 -0.139 0.338 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.629 0.746 0.156 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.682 2.006 0.724 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.421 2.742 0.424 0.00 0.00 -0.205 NA ATOM 5 C LIG 1 -1.200 1.962 -0.307 0.00 0.00 +0.184 A ATOM 6 N LIG 1 1.695 2.465 1.474 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.655 1.544 1.631 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.608 0.712 -0.460 0.00 0.00 -0.317 N ATOM 9 N LIG 1 2.700 0.303 1.115 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.805 1.968 2.460 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.800 3.192 3.014 0.00 0.00 -0.269 N ATOM 12 H LIG 1 3.081 3.892 2.936 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.943 3.313 3.700 0.00 0.00 +0.440 A ATOM 14 O LIG 1 5.296 4.292 4.337 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.658 2.148 3.565 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.869 1.285 2.736 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 1.739 -1.403 -0.226 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.383 -1.409 -1.173 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 3.120 -2.724 1.367 0.00 0.00 +0.028 C ATOM 20 C LIG 1 2.907 -2.284 -0.080 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 4.189 -1.712 -0.685 0.00 0.00 +0.009 C ATOM 22 C LIG 1 4.160 -1.401 -2.208 0.00 0.00 +0.005 C ATOM 23 C LIG 1 5.625 -1.877 -2.260 0.00 0.00 +0.001 C ATOM 24 C LIG 1 5.316 -2.732 -1.016 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 -2.508 2.391 -0.799 0.00 0.00 +0.228 C ATOM 26 O LIG 1 -3.340 1.613 -1.267 0.00 0.00 -0.283 OA BRANCH 25 27 ATOM 27 C LIG 1 -2.905 3.830 -0.732 0.00 0.00 +0.025 A ATOM 28 C LIG 1 -1.984 4.876 -0.872 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -2.416 6.205 -0.826 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -3.768 6.497 -0.653 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.694 5.464 -0.530 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -4.266 4.135 -0.574 0.00 0.00 +0.012 A ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 8 33 ATOM 33 C LIG 1 -1.179 -0.434 -1.149 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 -1.670 -1.563 -0.219 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -1.906 -2.838 -1.056 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -2.895 -3.780 -0.381 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -4.287 -3.134 -0.261 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -5.083 -3.804 0.860 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -4.213 -1.608 -0.066 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -2.914 -1.178 0.609 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 8