REMARK Name = BDB045735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.480 2.437 -0.984 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.430 1.680 -0.359 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -1.213 0.536 0.401 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -2.298 -0.137 0.974 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -3.611 0.310 0.797 0.00 0.00 +0.122 A ATOM 6 C LIG 1 -3.824 1.455 0.041 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -2.740 2.131 -0.535 0.00 0.00 +0.049 A BRANCH 5 8 ATOM 8 O LIG 1 -4.540 -0.457 1.427 0.00 0.00 -0.475 OA BRANCH 8 9 ATOM 9 C LIG 1 -5.959 -0.343 1.244 0.00 0.00 +0.200 C ATOM 10 C LIG 1 -6.421 -0.470 -0.212 0.00 0.00 +0.067 C ATOM 11 C LIG 1 -6.521 0.898 1.947 0.00 0.00 +0.067 C BRANCH 9 12 ATOM 12 C LIG 1 -6.517 -1.579 1.976 0.00 0.00 +0.348 C ATOM 13 O LIG 1 -7.417 -1.600 2.804 0.00 0.00 -0.247 OA BRANCH 12 14 ATOM 14 O LIG 1 -5.939 -2.744 1.606 0.00 0.00 -0.478 OA ATOM 15 H LIG 1 -6.376 -3.417 2.167 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 C LIG 1 0.896 2.107 -0.778 0.00 0.00 +0.235 C BRANCH 16 17 ATOM 17 C LIG 1 1.365 1.071 -1.797 0.00 0.00 +0.100 C BRANCH 17 20 ATOM 18 C LIG 1 4.090 1.873 -3.614 0.00 0.00 +0.088 C ATOM 19 C LIG 1 3.888 1.081 -2.389 0.00 0.00 +0.126 A ATOM 20 C LIG 1 2.798 0.731 -1.622 0.00 0.00 +0.086 A ATOM 21 N LIG 1 3.212 -0.045 -0.563 0.00 0.00 -0.214 NA ATOM 22 C LIG 1 4.519 -0.146 -0.722 0.00 0.00 +0.228 A ATOM 23 O LIG 1 4.997 0.521 -1.820 0.00 0.00 -0.440 OA BRANCH 22 24 ATOM 24 C LIG 1 5.497 -0.854 0.100 0.00 0.00 +0.037 A ATOM 25 C LIG 1 5.068 -1.556 1.237 0.00 0.00 +0.013 A ATOM 26 C LIG 1 5.980 -2.243 2.042 0.00 0.00 +0.001 A ATOM 27 C LIG 1 7.335 -2.236 1.720 0.00 0.00 +0.000 A ATOM 28 C LIG 1 7.779 -1.545 0.595 0.00 0.00 +0.001 A ATOM 29 C LIG 1 6.865 -0.858 -0.210 0.00 0.00 +0.013 A ENDBRANCH 22 24 ENDBRANCH 17 20 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 9