REMARK Name = BDB048433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.571 -0.745 -0.082 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.970 0.280 -0.811 0.00 0.00 +0.046 A ATOM 3 C LIG 1 0.256 0.811 -0.396 0.00 0.00 +0.008 A ATOM 4 C LIG 1 0.906 0.319 0.746 0.00 0.00 -0.033 A ATOM 5 C LIG 1 0.290 -0.702 1.478 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -0.936 -1.230 1.062 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -2.761 -1.352 -0.376 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 -3.466 -0.880 -1.529 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 -4.764 -1.674 -1.670 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 -5.216 -2.367 1.602 0.00 0.00 +0.088 C ATOM 11 C LIG 1 -5.959 -1.547 0.632 0.00 0.00 +0.126 A ATOM 12 C LIG 1 -5.807 -1.236 -0.703 0.00 0.00 +0.086 A ATOM 13 N LIG 1 -6.819 -0.388 -1.095 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 -7.541 -0.213 -0.003 0.00 0.00 +0.228 A ATOM 15 O LIG 1 -7.069 -0.894 1.090 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 -8.745 0.590 0.189 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -9.394 0.674 1.430 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -10.546 1.451 1.584 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -11.063 2.155 0.499 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -10.432 2.083 -0.741 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -9.281 1.305 -0.893 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 2.221 0.911 1.212 0.00 0.00 +0.120 C BRANCH 22 23 ATOM 23 N LIG 1 3.188 1.136 0.122 0.00 0.00 -0.286 NA BRANCH 23 24 ATOM 24 C LIG 1 3.706 -0.152 -0.406 0.00 0.00 +0.205 C BRANCH 24 25 ATOM 25 C LIG 1 3.937 -0.088 -1.912 0.00 0.00 +0.319 C ATOM 26 O LIG 1 3.555 0.758 -2.707 0.00 0.00 -0.250 OA BRANCH 25 27 ATOM 27 O LIG 1 4.614 -1.168 -2.367 0.00 0.00 -0.480 OA ATOM 28 H LIG 1 4.686 -0.988 -3.327 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 BRANCH 23 29 ATOM 29 C LIG 1 4.268 2.035 0.588 0.00 0.00 +0.113 C BRANCH 29 30 ATOM 30 C LIG 1 5.316 2.447 -0.466 0.00 0.00 +0.175 C BRANCH 30 31 ATOM 31 O LIG 1 6.264 1.405 -0.706 0.00 0.00 -0.374 OA BRANCH 31 32 ATOM 32 C LIG 1 7.382 1.454 0.182 0.00 0.00 +0.195 C BRANCH 32 33 ATOM 33 C LIG 1 8.158 0.159 0.153 0.00 0.00 -0.022 A ATOM 34 C LIG 1 8.084 -0.728 -0.930 0.00 0.00 +0.006 A ATOM 35 C LIG 1 8.831 -1.908 -0.938 0.00 0.00 +0.000 A ATOM 36 C LIG 1 9.671 -2.210 0.131 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.767 -1.332 1.208 0.00 0.00 +0.000 A ATOM 38 C LIG 1 9.018 -0.153 1.218 0.00 0.00 +0.006 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 15