REMARK Name = BDB048420 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.944 -0.079 -0.318 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.681 0.538 -0.324 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -0.562 -0.257 -0.134 0.00 0.00 -0.033 A ATOM 4 C LIG 1 0.907 0.210 -0.098 0.00 0.00 +0.075 C ATOM 5 C LIG 1 1.530 -1.128 0.129 0.00 0.00 +0.010 A ATOM 6 C LIG 1 0.614 -2.140 0.207 0.00 0.00 +0.070 A ATOM 7 N LIG 1 1.284 -3.290 0.382 0.00 0.00 -0.276 N ATOM 8 H LIG 1 0.933 -4.237 0.472 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 2.622 -3.085 0.424 0.00 0.00 -0.173 NA ATOM 10 C LIG 1 2.789 -1.748 0.270 0.00 0.00 +0.097 A ATOM 11 C LIG 1 -0.710 -1.657 0.051 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -1.935 -2.284 0.043 0.00 0.00 +0.011 A ATOM 13 C LIG 1 -3.065 -1.480 -0.149 0.00 0.00 +0.014 A ENDROOT BRANCH 10 14 ATOM 14 C LIG 1 4.126 -1.147 0.249 0.00 0.00 +0.002 A ATOM 15 C LIG 1 5.246 -1.930 -0.061 0.00 0.00 +0.011 A ATOM 16 C LIG 1 6.530 -1.372 -0.092 0.00 0.00 +0.009 A ATOM 17 C LIG 1 6.734 -0.013 0.189 0.00 0.00 -0.018 A ATOM 18 C LIG 1 5.611 0.766 0.504 0.00 0.00 +0.009 A ATOM 19 C LIG 1 4.325 0.208 0.536 0.00 0.00 +0.011 A BRANCH 17 20 ATOM 20 C LIG 1 8.083 0.576 0.160 0.00 0.00 -0.018 A ATOM 21 C LIG 1 9.134 0.015 0.909 0.00 0.00 +0.012 A ATOM 22 C LIG 1 10.416 0.573 0.886 0.00 0.00 +0.046 A ATOM 23 C LIG 1 10.657 1.700 0.109 0.00 0.00 +0.117 A ATOM 24 C LIG 1 9.640 2.274 -0.641 0.00 0.00 +0.046 A ATOM 25 C LIG 1 8.360 1.715 -0.615 0.00 0.00 +0.012 A BRANCH 23 26 ATOM 26 O LIG 1 11.891 2.277 0.056 0.00 0.00 -0.507 OA ATOM 27 H LIG 1 12.494 1.769 0.623 0.00 0.00 +0.292 HD ENDBRANCH 23 26 ENDBRANCH 17 20 ENDBRANCH 10 14 BRANCH 1 29 ATOM 28 O LIG 1 -4.046 1.805 -1.202 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 -4.137 0.787 -0.526 0.00 0.00 +0.244 C ATOM 30 N LIG 1 -5.301 0.390 0.100 0.00 0.00 -0.308 N ATOM 31 H LIG 1 -5.298 -0.428 0.693 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 -6.550 1.124 -0.070 0.00 0.00 +0.073 C ATOM 33 C LIG 1 -7.498 0.864 1.114 0.00 0.00 +0.025 C ATOM 34 C LIG 1 -8.423 -0.323 0.854 0.00 0.00 +0.033 C ATOM 35 C LIG 1 -9.303 -0.095 -0.382 0.00 0.00 +0.115 C ATOM 36 C LIG 1 -8.700 0.885 -1.392 0.00 0.00 +0.033 C ATOM 37 C LIG 1 -7.182 0.774 -1.430 0.00 0.00 +0.025 C BRANCH 35 38 ATOM 38 O LIG 1 -10.583 0.386 0.022 0.00 0.00 -0.392 OA ATOM 39 H LIG 1 -10.461 1.241 0.469 0.00 0.00 +0.210 HD ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 1 29 TORSDOF 6