REMARK Name = BDB024447 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.793 1.800 -0.136 0.00 0.00 +0.172 C ENDROOT BRANCH 1 8 ATOM 2 C LIG 1 4.330 -0.742 0.511 0.00 0.00 -0.015 A ATOM 3 C LIG 1 4.055 0.048 -0.615 0.00 0.00 +0.014 A ATOM 4 C LIG 1 2.784 0.590 -0.765 0.00 0.00 -0.024 A ATOM 5 C LIG 1 2.308 1.468 -1.875 0.00 0.00 +0.056 C ATOM 6 C LIG 1 0.839 1.692 -1.498 0.00 0.00 +0.118 C ATOM 7 N LIG 1 0.595 1.021 -0.209 0.00 0.00 -0.269 N ATOM 8 C LIG 1 -0.592 1.036 0.511 0.00 0.00 +0.241 C ATOM 9 O LIG 1 -0.737 0.488 1.611 0.00 0.00 -0.273 OA ATOM 10 C LIG 1 1.782 0.368 0.178 0.00 0.00 +0.040 A ATOM 11 C LIG 1 2.033 -0.405 1.296 0.00 0.00 +0.024 A ATOM 12 C LIG 1 3.311 -0.959 1.460 0.00 0.00 +0.010 A BRANCH 2 17 ATOM 13 C LIG 1 8.805 -2.743 -0.296 0.00 0.00 +0.172 C ATOM 14 N LIG 1 7.620 -2.212 0.334 0.00 0.00 -0.274 N ATOM 15 N LIG 1 7.534 -2.202 1.675 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.332 -1.665 1.905 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.646 -1.325 0.715 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.518 -1.699 -0.287 0.00 0.00 +0.116 A ENDBRANCH 2 17 ENDBRANCH 1 8 BRANCH 1 19 ATOM 19 C LIG 1 -1.723 3.301 0.115 0.00 0.00 -0.022 A ATOM 20 C LIG 1 -1.277 3.833 1.337 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -1.228 5.214 1.536 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -1.637 6.082 0.526 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -2.104 5.571 -0.682 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.153 4.190 -0.884 0.00 0.00 +0.005 A ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 -3.081 1.280 0.392 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.964 1.205 1.407 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.398 -0.046 -0.149 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.691 -0.580 0.482 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -5.055 -1.941 -0.063 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.496 -3.100 0.494 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.817 -4.358 -0.021 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.697 -4.470 -1.101 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.254 -3.318 -1.664 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.933 -2.060 -1.149 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -6.026 -5.761 -1.632 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.290 -6.805 -2.064 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8