REMARK Name = BDB046665 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.555 -1.260 -1.560 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.669 -0.473 -1.471 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -2.581 -0.218 -2.494 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -3.686 0.609 -2.264 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -3.896 1.191 -1.006 0.00 0.00 -0.043 A ATOM 6 C LIG 1 -2.976 0.931 0.016 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -1.875 0.105 -0.218 0.00 0.00 +0.046 A BRANCH 5 8 ATOM 8 C LIG 1 -5.098 2.080 -0.760 0.00 0.00 +0.094 C BRANCH 8 9 ATOM 9 C LIG 1 -6.259 1.427 0.050 0.00 0.00 +0.207 C ATOM 10 C LIG 1 -7.425 2.441 0.065 0.00 0.00 +0.068 C BRANCH 9 11 ATOM 11 C LIG 1 -6.700 0.159 -0.730 0.00 0.00 +0.349 C ATOM 12 O LIG 1 -6.528 -1.013 -0.439 0.00 0.00 -0.246 OA BRANCH 11 13 ATOM 13 O LIG 1 -7.325 0.442 -1.899 0.00 0.00 -0.478 OA ATOM 14 H LIG 1 -7.526 -0.449 -2.258 0.00 0.00 +0.295 HD ENDBRANCH 11 13 ENDBRANCH 9 11 BRANCH 9 15 ATOM 15 O LIG 1 -5.750 1.279 1.389 0.00 0.00 -0.474 OA BRANCH 15 16 ATOM 16 C LIG 1 -6.516 0.566 2.264 0.00 0.00 +0.122 A ATOM 17 C LIG 1 -6.220 -0.776 2.490 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -6.944 -1.501 3.437 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -7.941 -0.872 4.182 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.203 0.484 3.990 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -7.479 1.207 3.041 0.00 0.00 +0.046 A ENDBRANCH 15 16 ENDBRANCH 9 15 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 22 ATOM 22 C LIG 1 -0.254 -1.828 -2.834 0.00 0.00 +0.235 C BRANCH 22 23 ATOM 23 C LIG 1 1.035 -2.644 -2.736 0.00 0.00 +0.100 C BRANCH 23 26 ATOM 24 C LIG 1 2.530 -0.386 -4.766 0.00 0.00 +0.088 C ATOM 25 C LIG 1 2.841 -0.902 -3.423 0.00 0.00 +0.126 A ATOM 26 C LIG 1 2.258 -1.810 -2.563 0.00 0.00 +0.086 A ATOM 27 N LIG 1 3.020 -1.906 -1.419 0.00 0.00 -0.214 NA ATOM 28 C LIG 1 4.004 -1.047 -1.605 0.00 0.00 +0.228 A ATOM 29 O LIG 1 3.956 -0.402 -2.813 0.00 0.00 -0.440 OA BRANCH 28 30 ATOM 30 C LIG 1 5.112 -0.707 -0.717 0.00 0.00 +0.037 A ATOM 31 C LIG 1 6.097 0.222 -1.076 0.00 0.00 +0.014 A ATOM 32 C LIG 1 7.149 0.527 -0.202 0.00 0.00 +0.009 A ATOM 33 C LIG 1 7.249 -0.089 1.055 0.00 0.00 -0.018 A ATOM 34 C LIG 1 6.260 -1.019 1.411 0.00 0.00 +0.009 A ATOM 35 C LIG 1 5.208 -1.323 0.538 0.00 0.00 +0.014 A BRANCH 33 36 ATOM 36 C LIG 1 8.355 0.232 1.972 0.00 0.00 -0.018 A ATOM 37 C LIG 1 9.165 -0.782 2.511 0.00 0.00 +0.008 A ATOM 38 C LIG 1 10.217 -0.479 3.381 0.00 0.00 +0.001 A ATOM 39 C LIG 1 10.475 0.845 3.727 0.00 0.00 +0.000 A ATOM 40 C LIG 1 9.684 1.865 3.205 0.00 0.00 +0.001 A ATOM 41 C LIG 1 8.634 1.560 2.335 0.00 0.00 +0.008 A ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 12