REMARK Name = BDB053291 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.962 -2.313 1.849 0.00 0.00 -0.307 N ATOM 2 H LIG 1 -0.470 -3.092 1.440 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 -0.579 -1.019 1.570 0.00 0.00 +0.244 C ATOM 4 O LIG 1 -1.162 -0.019 1.979 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 0.622 -0.862 0.706 0.00 0.00 +0.037 A ATOM 6 C LIG 1 0.916 -1.768 -0.323 0.00 0.00 +0.016 A ATOM 7 C LIG 1 2.045 -1.573 -1.121 0.00 0.00 +0.046 A ATOM 8 C LIG 1 2.878 -0.481 -0.886 0.00 0.00 +0.121 A ATOM 9 C LIG 1 2.571 0.449 0.106 0.00 0.00 +0.046 A ATOM 10 C LIG 1 1.443 0.256 0.905 0.00 0.00 +0.016 A BRANCH 8 11 ATOM 11 O LIG 1 3.951 -0.294 -1.712 0.00 0.00 -0.492 OA BRANCH 11 12 ATOM 12 C LIG 1 5.184 -0.575 -1.030 0.00 0.00 +0.233 C BRANCH 12 13 ATOM 13 C LIG 1 6.351 -0.064 -1.879 0.00 0.00 +0.076 C BRANCH 13 14 ATOM 14 C LIG 1 6.531 1.434 -1.763 0.00 0.00 -0.044 A ATOM 15 C LIG 1 7.513 1.971 -0.920 0.00 0.00 +0.004 A ATOM 16 C LIG 1 7.664 3.354 -0.801 0.00 0.00 +0.000 A ATOM 17 C LIG 1 6.835 4.212 -1.522 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.854 3.688 -2.362 0.00 0.00 +0.000 A ATOM 19 C LIG 1 5.702 2.306 -2.482 0.00 0.00 +0.004 A ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 3 5 BRANCH 1 20 ATOM 20 C LIG 1 -2.187 -2.630 2.560 0.00 0.00 +0.143 C BRANCH 20 23 ATOM 21 C LIG 1 -5.022 -0.611 1.074 0.00 0.00 -0.046 A ATOM 22 C LIG 1 -4.069 -1.103 1.964 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -3.394 -2.309 1.714 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -3.769 -3.103 0.619 0.00 0.00 +0.125 A ATOM 25 C LIG 1 -4.791 -2.655 -0.223 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -5.398 -1.412 -0.008 0.00 0.00 +0.007 A BRANCH 24 27 ATOM 27 O LIG 1 -3.064 -4.266 0.449 0.00 0.00 -0.495 OA ATOM 28 C LIG 1 -3.478 -5.126 -0.605 0.00 0.00 +0.277 C ENDBRANCH 24 27 BRANCH 21 29 ATOM 29 C LIG 1 -5.580 0.782 1.242 0.00 0.00 +0.049 C BRANCH 29 30 ATOM 30 C LIG 1 -4.557 1.936 1.100 0.00 0.00 +0.102 C BRANCH 30 32 ATOM 31 C LIG 1 -2.716 3.014 -0.298 0.00 0.00 +0.004 C ATOM 32 C LIG 1 -3.533 1.756 -0.032 0.00 0.00 +0.011 C ENDBRANCH 30 32 BRANCH 30 33 ATOM 33 C LIG 1 -3.999 2.319 2.461 0.00 0.00 +0.308 C ATOM 34 O LIG 1 -4.640 3.018 3.239 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -2.795 1.837 2.806 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -2.325 1.200 2.212 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 21 29 ENDBRANCH 20 23 ENDBRANCH 1 20 TORSDOF 13