REMARK Name = BDB048099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.351 -2.588 0.546 0.00 0.00 +0.176 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.094 -3.932 0.614 0.00 0.00 +0.041 C ATOM 3 C LIG 1 -1.205 -5.157 0.509 0.00 0.00 +0.007 C ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 O LIG 1 -2.386 -1.574 0.595 0.00 0.00 -0.488 OA BRANCH 4 8 ATOM 5 C LIG 1 -1.730 1.549 -2.109 0.00 0.00 -0.047 A ATOM 6 C LIG 1 -1.659 1.783 -0.728 0.00 0.00 +0.019 A ATOM 7 C LIG 1 -1.908 0.747 0.183 0.00 0.00 +0.064 A ATOM 8 C LIG 1 -2.166 -0.546 -0.285 0.00 0.00 +0.132 A ATOM 9 C LIG 1 -2.260 -0.779 -1.659 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -2.036 0.261 -2.565 0.00 0.00 +0.007 A BRANCH 5 12 ATOM 11 C LIG 1 0.031 2.854 -3.327 0.00 0.00 +0.009 C ATOM 12 C LIG 1 -1.458 2.664 -3.086 0.00 0.00 +0.032 C ENDBRANCH 5 12 BRANCH 7 13 ATOM 13 C LIG 1 -1.831 1.072 1.625 0.00 0.00 +0.197 C ATOM 14 O LIG 1 -0.850 1.689 2.037 0.00 0.00 -0.287 OA BRANCH 13 15 ATOM 15 C LIG 1 -2.915 0.692 2.571 0.00 0.00 +0.022 A ATOM 16 C LIG 1 -4.232 0.473 2.149 0.00 0.00 +0.012 A ATOM 17 C LIG 1 -5.217 0.132 3.079 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -4.896 0.020 4.431 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -3.590 0.254 4.860 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -2.603 0.594 3.934 0.00 0.00 +0.012 A ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 4 8 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 C LIG 1 -0.410 -2.341 1.739 0.00 0.00 +0.085 C BRANCH 21 22 ATOM 22 C LIG 1 1.030 -2.824 1.554 0.00 0.00 +0.232 C BRANCH 22 23 ATOM 23 O LIG 1 1.541 -2.593 0.243 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 1.982 -1.345 -0.093 0.00 0.00 +0.121 A ATOM 25 C LIG 1 2.473 -1.238 -1.398 0.00 0.00 +0.049 A ATOM 26 C LIG 1 2.960 -0.022 -1.909 0.00 0.00 -0.044 A ATOM 27 C LIG 1 3.458 0.018 -3.328 0.00 0.00 +0.044 C ATOM 28 C LIG 1 2.938 1.121 -1.089 0.00 0.00 -0.044 A ATOM 29 C LIG 1 2.435 1.006 0.218 0.00 0.00 +0.007 A ATOM 30 C LIG 1 1.971 -0.216 0.714 0.00 0.00 +0.046 A BRANCH 28 31 ATOM 31 C LIG 1 3.455 2.467 -1.549 0.00 0.00 +0.046 C BRANCH 31 32 ATOM 32 C LIG 1 4.952 2.647 -1.311 0.00 0.00 +0.125 C BRANCH 32 33 ATOM 33 C LIG 1 5.311 2.804 0.140 0.00 0.00 +0.305 C ATOM 34 O LIG 1 6.180 2.189 0.736 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 4.625 3.783 0.759 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 4.980 3.776 1.673 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 14