REMARK Name = BDB046771 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.210 -0.159 -0.275 0.00 0.00 -0.279 N ATOM 2 H LIG 1 0.090 0.794 -0.448 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 0.733 -1.163 -0.241 0.00 0.00 +0.248 C ATOM 4 O LIG 1 0.513 -2.366 -0.157 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 6 ATOM 5 C LIG 1 -2.349 0.933 -0.260 0.00 0.00 +0.142 A ATOM 6 C LIG 1 -1.615 -0.270 -0.154 0.00 0.00 +0.076 A ATOM 7 C LIG 1 -2.286 -1.475 0.070 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -3.683 -1.499 0.191 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -4.404 -0.304 0.086 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -3.739 0.907 -0.137 0.00 0.00 +0.048 A BRANCH 8 11 ATOM 11 C LIG 1 -4.362 -2.809 0.429 0.00 0.00 +0.160 C ATOM 12 O LIG 1 -3.717 -3.855 0.404 0.00 0.00 -0.292 OA ATOM 13 C LIG 1 -5.846 -2.825 0.693 0.00 0.00 +0.091 C ENDBRANCH 8 11 BRANCH 5 14 ATOM 14 O LIG 1 -1.590 2.059 -0.475 0.00 0.00 -0.490 OA BRANCH 14 16 ATOM 15 C LIG 1 -2.481 3.987 0.701 0.00 0.00 +0.048 C ATOM 16 C LIG 1 -2.239 3.320 -0.642 0.00 0.00 +0.226 C ENDBRANCH 14 16 ENDBRANCH 5 14 ENDBRANCH 1 6 BRANCH 3 17 ATOM 17 C LIG 1 2.155 -0.720 -0.356 0.00 0.00 +0.038 A ATOM 18 C LIG 1 2.587 0.541 0.071 0.00 0.00 +0.028 A ATOM 19 C LIG 1 3.933 0.903 -0.068 0.00 0.00 +0.060 A ATOM 20 C LIG 1 4.860 -0.011 -0.586 0.00 0.00 +0.021 A ATOM 21 C LIG 1 4.446 -1.288 -0.992 0.00 0.00 -0.021 A ATOM 22 C LIG 1 3.089 -1.627 -0.883 0.00 0.00 +0.019 A BRANCH 19 23 ATOM 23 C LIG 1 4.339 2.254 0.389 0.00 0.00 +0.337 C ATOM 24 O LIG 1 3.807 2.815 1.331 0.00 0.00 -0.245 OA BRANCH 23 25 ATOM 25 O LIG 1 5.299 2.820 -0.369 0.00 0.00 -0.477 OA ATOM 26 H LIG 1 5.535 2.335 -1.182 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 BRANCH 21 27 ATOM 27 C LIG 1 5.434 -2.272 -1.561 0.00 0.00 +0.191 C BRANCH 27 28 ATOM 28 O LIG 1 6.599 -2.313 -0.750 0.00 0.00 -0.390 OA ATOM 29 H LIG 1 6.310 -2.568 0.144 0.00 0.00 +0.210 HD ENDBRANCH 27 28 ENDBRANCH 21 27 ENDBRANCH 3 17 TORSDOF 9