REMARK Name = BDB048786 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.452 -0.988 -1.948 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.575 -0.819 -1.183 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -1.636 -0.157 0.046 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -2.860 -0.079 0.697 0.00 0.00 -0.040 A ATOM 5 C LIG 1 -3.159 0.596 2.000 0.00 0.00 +0.039 C ATOM 6 C LIG 1 -4.536 -0.004 2.363 0.00 0.00 -0.002 C ATOM 7 C LIG 1 -5.219 -0.387 1.015 0.00 0.00 +0.033 C ATOM 8 C LIG 1 -4.375 -1.234 3.267 0.00 0.00 +0.008 C ATOM 9 C LIG 1 -4.016 -0.630 0.140 0.00 0.00 -0.040 A ATOM 10 C LIG 1 -3.971 -1.288 -1.077 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -2.741 -1.381 -1.734 0.00 0.00 +0.046 A BRANCH 7 12 ATOM 12 C LIG 1 -6.084 0.742 0.444 0.00 0.00 +0.129 C BRANCH 12 13 ATOM 13 C LIG 1 -7.373 0.888 1.204 0.00 0.00 +0.305 C ATOM 14 O LIG 1 -7.785 0.188 2.112 0.00 0.00 -0.251 OA BRANCH 13 15 ATOM 15 O LIG 1 -8.101 1.933 0.761 0.00 0.00 -0.481 OA ATOM 16 H LIG 1 -8.906 1.918 1.320 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 C LIG 1 0.763 -0.422 -1.448 0.00 0.00 +0.235 C BRANCH 17 18 ATOM 18 C LIG 1 1.873 -0.725 -2.451 0.00 0.00 +0.100 C BRANCH 18 21 ATOM 19 C LIG 1 3.619 1.749 -3.919 0.00 0.00 +0.088 C ATOM 20 C LIG 1 3.841 0.939 -2.709 0.00 0.00 +0.126 A ATOM 21 C LIG 1 3.155 -0.077 -2.080 0.00 0.00 +0.086 A ATOM 22 N LIG 1 3.847 -0.470 -0.957 0.00 0.00 -0.214 NA ATOM 23 C LIG 1 4.918 0.303 -0.943 0.00 0.00 +0.228 A ATOM 24 O LIG 1 4.974 1.190 -1.988 0.00 0.00 -0.440 OA BRANCH 23 25 ATOM 25 C LIG 1 6.019 0.339 0.015 0.00 0.00 +0.037 A ATOM 26 C LIG 1 7.086 1.241 -0.111 0.00 0.00 +0.013 A ATOM 27 C LIG 1 8.126 1.253 0.823 0.00 0.00 +0.001 A ATOM 28 C LIG 1 8.112 0.363 1.895 0.00 0.00 +0.000 A ATOM 29 C LIG 1 7.060 -0.538 2.035 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.021 -0.550 1.101 0.00 0.00 +0.013 A ENDBRANCH 23 25 ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 8