REMARK Name = BDB055169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.570 1.115 -1.804 0.00 0.00 +0.229 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.213 2.418 -1.322 0.00 0.00 +0.046 C BRANCH 2 3 ATOM 3 C LIG 1 -1.965 2.286 0.008 0.00 0.00 +0.038 C BRANCH 3 7 ATOM 4 C LIG 1 -5.466 -0.213 -0.249 0.00 0.00 +0.122 A ATOM 5 C LIG 1 -4.289 -0.723 0.290 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -3.159 0.092 0.388 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -3.192 1.413 -0.081 0.00 0.00 -0.047 A ATOM 8 C LIG 1 -4.370 1.897 -0.665 0.00 0.00 +0.007 A ATOM 9 C LIG 1 -5.499 1.082 -0.762 0.00 0.00 +0.046 A BRANCH 4 10 ATOM 10 O LIG 1 -6.554 -1.023 -0.403 0.00 0.00 -0.475 OA BRANCH 10 12 ATOM 11 C LIG 1 -8.093 0.308 1.019 0.00 0.00 +0.067 C ATOM 12 C LIG 1 -7.496 -1.068 0.695 0.00 0.00 +0.200 C ATOM 13 C LIG 1 -6.892 -1.729 1.941 0.00 0.00 +0.067 C BRANCH 12 14 ATOM 14 C LIG 1 -8.637 -1.968 0.185 0.00 0.00 +0.348 C ATOM 15 O LIG 1 -8.733 -2.508 -0.907 0.00 0.00 -0.247 OA BRANCH 14 16 ATOM 16 O LIG 1 -9.628 -2.152 1.087 0.00 0.00 -0.478 OA ATOM 17 H LIG 1 -10.259 -2.735 0.612 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 12 14 ENDBRANCH 10 12 ENDBRANCH 4 10 ENDBRANCH 3 7 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 O LIG 1 0.278 0.539 -0.809 0.00 0.00 -0.492 OA BRANCH 18 19 ATOM 19 C LIG 1 1.579 0.947 -0.725 0.00 0.00 +0.121 A ATOM 20 C LIG 1 2.194 1.927 -1.503 0.00 0.00 +0.046 A ATOM 21 C LIG 1 3.542 2.244 -1.298 0.00 0.00 +0.015 A ATOM 22 C LIG 1 4.287 1.572 -0.323 0.00 0.00 +0.022 A ATOM 23 C LIG 1 3.667 0.607 0.475 0.00 0.00 +0.015 A ATOM 24 C LIG 1 2.321 0.295 0.265 0.00 0.00 +0.046 A BRANCH 22 25 ATOM 25 C LIG 1 5.706 1.956 -0.131 0.00 0.00 +0.186 C ATOM 26 O LIG 1 6.040 3.133 -0.234 0.00 0.00 -0.287 OA BRANCH 25 27 ATOM 27 C LIG 1 6.734 0.932 0.190 0.00 0.00 +0.052 C ATOM 28 C LIG 1 6.685 -0.344 -0.224 0.00 0.00 +0.011 C BRANCH 28 29 ATOM 29 C LIG 1 7.725 -1.338 0.076 0.00 0.00 -0.025 A ATOM 30 C LIG 1 9.089 -1.019 0.090 0.00 0.00 +0.008 A ATOM 31 C LIG 1 10.046 -2.002 0.354 0.00 0.00 +0.001 A ATOM 32 C LIG 1 9.651 -3.316 0.595 0.00 0.00 +0.000 A ATOM 33 C LIG 1 8.299 -3.649 0.568 0.00 0.00 +0.001 A ATOM 34 C LIG 1 7.341 -2.667 0.304 0.00 0.00 +0.008 A ENDBRANCH 28 29 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 12