REMARK Name = BDB011669 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.165 -1.397 -0.178 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.999 -1.038 1.054 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.001 -1.782 2.043 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.900 0.023 0.922 0.00 0.00 -0.264 N ATOM 5 C LIG 1 1.397 1.403 0.887 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.053 1.739 0.523 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -0.367 3.075 0.720 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.493 4.077 1.165 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.813 3.769 1.430 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -0.832 0.830 -0.057 0.00 0.00 -0.326 N ATOM 11 C LIG 1 2.255 2.453 1.294 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -0.244 -0.161 -0.960 0.00 0.00 +0.137 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -1.792 -2.871 -0.607 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -0.980 -2.198 0.270 0.00 0.00 -0.301 N ATOM 15 H LIG 1 -1.193 -2.169 1.260 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -1.569 -2.911 -1.816 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -2.993 -3.589 0.047 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -2.630 -5.064 0.200 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -5.385 -3.989 -0.311 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -4.182 -3.328 -0.788 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -3.971 -3.621 -1.745 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 3.214 -0.247 1.526 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 4.419 0.089 0.653 0.00 0.00 -0.022 A ATOM 24 C LIG 1 5.717 0.246 1.228 0.00 0.00 -0.013 A ATOM 25 C LIG 1 6.811 0.551 0.377 0.00 0.00 -0.018 A ATOM 26 C LIG 1 8.098 0.724 0.912 0.00 0.00 +0.008 A ATOM 27 C LIG 1 8.332 0.591 2.278 0.00 0.00 +0.001 A ATOM 28 C LIG 1 7.280 0.281 3.127 0.00 0.00 +0.001 A ATOM 29 C LIG 1 6.612 0.671 -1.005 0.00 0.00 +0.008 A ATOM 30 C LIG 1 5.353 0.482 -1.563 0.00 0.00 +0.001 A ATOM 31 C LIG 1 5.992 0.111 2.610 0.00 0.00 +0.009 A ATOM 32 C LIG 1 4.270 0.185 -0.744 0.00 0.00 +0.006 A ENDBRANCH 22 23 ENDBRANCH 4 22 BRANCH 10 33 ATOM 33 C LIG 1 -2.293 0.991 -0.074 0.00 0.00 +0.110 C BRANCH 33 34 ATOM 34 C LIG 1 -2.803 1.663 -1.357 0.00 0.00 +0.054 C BRANCH 34 35 ATOM 35 C LIG 1 -4.304 1.825 -1.340 0.00 0.00 -0.046 A ATOM 36 C LIG 1 -4.884 3.062 -1.029 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -6.272 3.202 -1.001 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.093 2.109 -1.278 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.525 0.874 -1.581 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.137 0.730 -1.611 0.00 0.00 +0.004 A ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 10 33 TORSDOF 8