REMARK Name = BDB007990 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.991 -2.525 -0.776 0.00 0.00 -0.294 NA ATOM 2 C LIG 1 0.693 -3.177 -1.007 0.00 0.00 +0.085 C ATOM 3 C LIG 1 -0.413 -2.479 -0.215 0.00 0.00 +0.027 C ATOM 4 C LIG 1 -0.492 -0.987 -0.551 0.00 0.00 +0.063 C ATOM 5 C LIG 1 0.898 -0.348 -0.415 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.939 -1.120 -1.224 0.00 0.00 +0.085 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.497 -0.302 0.372 0.00 0.00 +0.166 C ATOM 8 O LIG 1 -1.140 0.238 1.419 0.00 0.00 -0.292 OA BRANCH 7 9 ATOM 9 C LIG 1 -2.955 -0.306 0.026 0.00 0.00 +0.018 A ATOM 10 C LIG 1 -3.837 0.371 0.879 0.00 0.00 +0.015 A ATOM 11 C LIG 1 -5.214 0.403 0.618 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -5.727 -0.247 -0.501 0.00 0.00 +0.121 A ATOM 13 C LIG 1 -4.849 -0.919 -1.356 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -3.473 -0.954 -1.099 0.00 0.00 +0.015 A BRANCH 12 15 ATOM 15 O LIG 1 -7.037 -0.299 -0.884 0.00 0.00 -0.492 OA BRANCH 15 16 ATOM 16 C LIG 1 -8.029 0.257 -0.020 0.00 0.00 +0.229 C BRANCH 16 17 ATOM 17 C LIG 1 -8.252 1.738 -0.325 0.00 0.00 +0.044 C BRANCH 17 18 ATOM 18 C LIG 1 -9.319 2.330 0.547 0.00 0.00 -0.008 C ATOM 19 C LIG 1 -10.071 3.552 0.089 0.00 0.00 +0.004 C ATOM 20 C LIG 1 -10.770 2.221 0.160 0.00 0.00 +0.004 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 21 ATOM 21 C LIG 1 3.064 -3.261 -1.499 0.00 0.00 +0.180 C BRANCH 21 23 ATOM 22 O LIG 1 5.477 -2.999 -1.549 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 4.440 -2.943 -0.897 0.00 0.00 +0.227 C ATOM 24 N LIG 1 4.396 -2.643 0.447 0.00 0.00 -0.307 N ATOM 25 H LIG 1 3.466 -2.600 0.858 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 5.581 -2.328 1.218 0.00 0.00 +0.178 C BRANCH 26 27 ATOM 27 C LIG 1 5.980 -0.866 1.050 0.00 0.00 +0.127 A ATOM 28 N LIG 1 4.950 0.036 1.019 0.00 0.00 -0.309 N ATOM 29 H LIG 1 3.994 -0.285 1.008 0.00 0.00 +0.170 HD ATOM 30 C LIG 1 5.150 1.368 0.817 0.00 0.00 +0.257 A ATOM 31 O LIG 1 4.223 2.159 0.686 0.00 0.00 -0.267 OA ATOM 32 C LIG 1 6.561 1.784 0.760 0.00 0.00 +0.064 A ATOM 33 C LIG 1 6.868 3.234 0.576 0.00 0.00 +0.202 C ATOM 34 O LIG 1 8.246 3.460 0.236 0.00 0.00 -0.375 OA ATOM 35 C LIG 1 9.132 2.709 1.069 0.00 0.00 +0.166 C ATOM 36 C LIG 1 8.952 1.213 0.816 0.00 0.00 +0.084 C ATOM 37 C LIG 1 7.496 0.825 0.860 0.00 0.00 +0.056 A ATOM 38 N LIG 1 7.226 -0.515 1.005 0.00 0.00 -0.237 NA ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 10