REMARK Name = BDB048093 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.920 -0.807 -1.476 0.00 0.00 +0.177 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.243 -2.066 -2.059 0.00 0.00 +0.044 C BRANCH 2 4 ATOM 3 C LIG 1 -0.933 -3.684 -0.205 0.00 0.00 +0.004 C ATOM 4 C LIG 1 -0.897 -3.403 -1.698 0.00 0.00 +0.000 C ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 O LIG 1 -2.225 -0.659 -2.086 0.00 0.00 -0.488 OA BRANCH 5 6 ATOM 6 C LIG 1 -3.273 -0.803 -1.214 0.00 0.00 +0.132 A ATOM 7 C LIG 1 -3.548 0.051 -0.142 0.00 0.00 +0.064 A ATOM 8 C LIG 1 -4.642 -0.189 0.702 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -5.509 -1.259 0.447 0.00 0.00 -0.047 A ATOM 10 C LIG 1 -5.265 -2.076 -0.664 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -4.165 -1.839 -1.493 0.00 0.00 +0.046 A BRANCH 7 12 ATOM 12 C LIG 1 -2.762 1.265 0.125 0.00 0.00 +0.197 C ATOM 13 O LIG 1 -1.893 1.219 0.992 0.00 0.00 -0.287 OA BRANCH 12 14 ATOM 14 C LIG 1 -3.048 2.530 -0.612 0.00 0.00 +0.022 A ATOM 15 C LIG 1 -4.006 2.607 -1.632 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -4.230 3.818 -2.292 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -3.504 4.955 -1.938 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -2.551 4.886 -0.923 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -2.324 3.678 -0.262 0.00 0.00 +0.012 A ENDBRANCH 12 14 ENDBRANCH 7 12 BRANCH 9 20 ATOM 20 C LIG 1 -6.675 -1.534 1.360 0.00 0.00 +0.032 C ATOM 21 C LIG 1 -6.286 -2.445 2.514 0.00 0.00 +0.009 C ENDBRANCH 9 20 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 C LIG 1 -0.118 0.462 -1.838 0.00 0.00 +0.085 C BRANCH 22 23 ATOM 23 C LIG 1 1.017 0.760 -0.859 0.00 0.00 +0.232 C BRANCH 23 24 ATOM 24 O LIG 1 2.081 -0.166 -1.066 0.00 0.00 -0.492 OA BRANCH 24 25 ATOM 25 C LIG 1 3.159 -0.081 -0.231 0.00 0.00 +0.121 A ATOM 26 C LIG 1 3.337 0.847 0.795 0.00 0.00 +0.049 A ATOM 27 C LIG 1 4.500 0.840 1.590 0.00 0.00 -0.044 A ATOM 28 C LIG 1 4.614 1.843 2.708 0.00 0.00 +0.044 C ATOM 29 C LIG 1 5.499 -0.125 1.347 0.00 0.00 -0.044 A ATOM 30 C LIG 1 5.305 -1.059 0.317 0.00 0.00 +0.007 A ATOM 31 C LIG 1 4.149 -1.033 -0.463 0.00 0.00 +0.046 A BRANCH 29 32 ATOM 32 C LIG 1 6.793 -0.173 2.132 0.00 0.00 +0.046 C BRANCH 32 33 ATOM 33 C LIG 1 7.843 0.789 1.588 0.00 0.00 +0.125 C BRANCH 33 34 ATOM 34 C LIG 1 8.519 0.245 0.357 0.00 0.00 +0.305 C ATOM 35 O LIG 1 9.554 -0.404 0.383 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 7.873 0.531 -0.794 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 7.017 0.986 -0.664 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 15