REMARK Name = BDB055080 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.396 1.705 1.245 0.00 0.00 +0.054 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.093 1.459 1.265 0.00 0.00 -0.046 A ATOM 3 C LIG 1 1.934 2.115 0.357 0.00 0.00 +0.007 A ATOM 4 C LIG 1 3.310 1.859 0.343 0.00 0.00 +0.046 A ATOM 5 C LIG 1 3.862 0.942 1.236 0.00 0.00 +0.122 A ATOM 6 C LIG 1 3.025 0.295 2.149 0.00 0.00 +0.046 A ATOM 7 C LIG 1 1.651 0.545 2.165 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 O LIG 1 5.174 0.578 1.325 0.00 0.00 -0.477 OA BRANCH 8 9 ATOM 9 C LIG 1 6.126 1.120 0.406 0.00 0.00 +0.285 C BRANCH 9 10 ATOM 10 C LIG 1 7.512 1.063 1.045 0.00 0.00 +0.346 C ATOM 11 O LIG 1 7.807 0.685 2.168 0.00 0.00 -0.247 OA BRANCH 10 12 ATOM 12 O LIG 1 8.480 1.569 0.244 0.00 0.00 -0.478 OA ATOM 13 H LIG 1 9.288 1.472 0.794 0.00 0.00 +0.295 HD ENDBRANCH 10 12 ENDBRANCH 9 10 BRANCH 9 14 ATOM 14 C LIG 1 6.106 0.381 -0.944 0.00 0.00 +0.091 C BRANCH 14 15 ATOM 15 C LIG 1 6.580 -1.057 -0.904 0.00 0.00 -0.043 A ATOM 16 C LIG 1 5.778 -2.061 -0.343 0.00 0.00 +0.004 A ATOM 17 C LIG 1 6.220 -3.384 -0.309 0.00 0.00 +0.000 A ATOM 18 C LIG 1 7.463 -3.720 -0.839 0.00 0.00 +0.000 A ATOM 19 C LIG 1 8.267 -2.732 -1.404 0.00 0.00 +0.000 A ATOM 20 C LIG 1 7.830 -1.406 -1.435 0.00 0.00 +0.004 A ENDBRANCH 14 15 ENDBRANCH 9 14 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 -1.086 0.886 0.147 0.00 0.00 +0.114 C BRANCH 21 22 ATOM 22 N LIG 1 -2.533 1.073 0.187 0.00 0.00 -0.285 N BRANCH 22 23 ATOM 23 C LIG 1 -3.119 2.127 -0.427 0.00 0.00 +0.291 A ATOM 24 O LIG 1 -2.294 3.084 -0.964 0.00 0.00 -0.424 OA ATOM 25 C LIG 1 -3.149 4.002 -1.497 0.00 0.00 +0.157 A ATOM 26 C LIG 1 -4.439 3.563 -1.258 0.00 0.00 +0.111 A ATOM 27 C LIG 1 -5.514 4.339 -1.709 0.00 0.00 +0.031 A ATOM 28 C LIG 1 -5.227 5.534 -2.389 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -3.905 5.941 -2.612 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -2.821 5.175 -2.165 0.00 0.00 +0.048 A ATOM 31 N LIG 1 -4.405 2.373 -0.581 0.00 0.00 -0.195 NA ENDBRANCH 22 23 BRANCH 22 32 ATOM 32 C LIG 1 -3.369 -0.022 0.664 0.00 0.00 +0.109 C BRANCH 32 33 ATOM 33 C LIG 1 -3.686 -1.000 -0.473 0.00 0.00 +0.019 C BRANCH 33 34 ATOM 34 C LIG 1 -4.392 -2.276 -0.004 0.00 0.00 +0.002 C BRANCH 34 35 ATOM 35 C LIG 1 -5.754 -2.013 0.637 0.00 0.00 +0.000 C BRANCH 35 36 ATOM 36 C LIG 1 -6.605 -3.272 0.840 0.00 0.00 -0.000 C BRANCH 36 38 ATOM 37 C LIG 1 -5.230 -5.406 1.097 0.00 0.00 +0.004 C ATOM 38 C LIG 1 -6.008 -4.304 1.802 0.00 0.00 -0.003 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 22 32 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 16