REMARK Name = BDB011126 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.063 -1.557 -0.181 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -3.141 0.299 0.332 0.00 0.00 -0.041 A ATOM 3 C LIG 1 -3.651 0.208 -0.980 0.00 0.00 -0.043 A ATOM 4 C LIG 1 -2.904 -0.481 -1.952 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -1.671 -1.054 -1.641 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -1.152 -0.957 -0.354 0.00 0.00 +0.121 A ATOM 7 C LIG 1 -1.886 -0.284 0.622 0.00 0.00 +0.049 A BRANCH 2 9 ATOM 8 C LIG 1 -4.398 0.017 2.505 0.00 0.00 +0.009 C ATOM 9 C LIG 1 -3.867 0.996 1.464 0.00 0.00 +0.032 C ENDBRANCH 2 9 BRANCH 3 10 ATOM 10 C LIG 1 -4.978 0.799 -1.406 0.00 0.00 +0.046 C BRANCH 10 11 ATOM 11 C LIG 1 -6.149 -0.123 -1.081 0.00 0.00 +0.125 C BRANCH 11 12 ATOM 12 C LIG 1 -7.448 0.473 -1.544 0.00 0.00 +0.305 C ATOM 13 O LIG 1 -7.619 1.548 -2.092 0.00 0.00 -0.251 OA BRANCH 12 14 ATOM 14 O LIG 1 -8.494 -0.336 -1.283 0.00 0.00 -0.481 OA ATOM 15 H LIG 1 -9.270 0.156 -1.626 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 3 10 ENDBRANCH 1 6 BRANCH 1 16 ATOM 16 C LIG 1 0.658 -1.472 1.118 0.00 0.00 +0.235 C BRANCH 16 17 ATOM 17 C LIG 1 2.012 -2.178 1.086 0.00 0.00 +0.100 C BRANCH 17 18 ATOM 18 C LIG 1 3.064 -1.359 0.424 0.00 0.00 +0.086 A ATOM 19 C LIG 1 3.320 -1.167 -0.917 0.00 0.00 +0.126 A ATOM 20 C LIG 1 2.712 -1.639 -2.172 0.00 0.00 +0.088 C ATOM 21 O LIG 1 4.388 -0.322 -1.022 0.00 0.00 -0.440 OA ATOM 22 C LIG 1 4.731 -0.041 0.275 0.00 0.00 +0.228 A ATOM 23 N LIG 1 3.969 -0.638 1.173 0.00 0.00 -0.214 NA BRANCH 22 24 ATOM 24 C LIG 1 5.865 0.857 0.479 0.00 0.00 +0.037 A ATOM 25 C LIG 1 6.271 1.173 1.787 0.00 0.00 +0.016 A ATOM 26 C LIG 1 7.352 2.030 2.014 0.00 0.00 +0.039 A ATOM 27 C LIG 1 8.031 2.574 0.932 0.00 0.00 +0.123 A ATOM 28 F LIG 1 9.067 3.395 1.148 0.00 0.00 -0.205 F ATOM 29 C LIG 1 7.651 2.279 -0.371 0.00 0.00 +0.039 A ATOM 30 C LIG 1 6.570 1.422 -0.598 0.00 0.00 +0.016 A ENDBRANCH 22 24 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 10