REMARK Name = BDB061241 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.724 -1.451 -1.154 0.00 0.00 +0.139 A ATOM 2 O LIG 1 -1.780 -2.003 -0.306 0.00 0.00 -0.454 OA ATOM 3 C LIG 1 -1.640 -3.370 -0.230 0.00 0.00 +0.154 A ATOM 4 C LIG 1 -2.480 -4.231 -0.938 0.00 0.00 +0.106 A ATOM 5 C LIG 1 -2.309 -5.613 -0.839 0.00 0.00 +0.135 A ATOM 6 C LIG 1 -1.296 -6.132 -0.042 0.00 0.00 +0.092 A ATOM 7 C LIG 1 -0.457 -5.269 0.665 0.00 0.00 +0.132 A ATOM 8 C LIG 1 -3.535 -3.647 -1.776 0.00 0.00 +0.197 A ATOM 9 O LIG 1 -4.322 -4.357 -2.393 0.00 0.00 -0.287 OA ATOM 10 C LIG 1 -0.614 -3.871 0.606 0.00 0.00 +0.067 A ATOM 11 C LIG 1 -3.601 -2.180 -1.858 0.00 0.00 +0.098 A ENDROOT BRANCH 1 17 ATOM 12 C LIG 1 -2.369 4.361 -1.353 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -2.463 2.862 -1.278 0.00 0.00 -0.047 A ATOM 14 C LIG 1 -2.047 2.156 -0.135 0.00 0.00 -0.047 A ATOM 15 C LIG 1 -1.471 2.865 1.060 0.00 0.00 +0.044 C ATOM 16 C LIG 1 -2.161 0.754 -0.113 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -2.676 0.031 -1.203 0.00 0.00 +0.018 A ATOM 18 C LIG 1 -3.074 0.753 -2.335 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -2.974 2.148 -2.369 0.00 0.00 +0.004 A ENDBRANCH 1 17 BRANCH 10 20 ATOM 20 C LIG 1 0.221 -2.948 1.403 0.00 0.00 -0.010 A ATOM 21 C LIG 1 1.010 -1.962 0.783 0.00 0.00 +0.020 A ATOM 22 C LIG 1 1.747 -1.031 1.533 0.00 0.00 +0.018 A ATOM 23 C LIG 1 1.706 -1.111 2.931 0.00 0.00 +0.011 A ATOM 24 C LIG 1 0.947 -2.094 3.564 0.00 0.00 +0.001 A ATOM 25 C LIG 1 0.204 -2.999 2.806 0.00 0.00 +0.009 A BRANCH 22 26 ATOM 26 C LIG 1 2.498 0.053 0.877 0.00 0.00 +0.139 A ATOM 27 O LIG 1 2.286 1.300 1.433 0.00 0.00 -0.454 OA ATOM 28 C LIG 1 2.902 2.385 0.860 0.00 0.00 +0.146 A ATOM 29 C LIG 1 3.769 2.292 -0.233 0.00 0.00 +0.105 A ATOM 30 C LIG 1 4.345 3.463 -0.747 0.00 0.00 +0.135 A ATOM 31 C LIG 1 4.059 4.706 -0.173 0.00 0.00 +0.091 A ATOM 32 C LIG 1 3.195 4.773 0.914 0.00 0.00 +0.124 A ATOM 33 C LIG 1 4.028 0.945 -0.792 0.00 0.00 +0.197 A ATOM 34 O LIG 1 4.783 0.712 -1.726 0.00 0.00 -0.287 OA ATOM 35 C LIG 1 2.616 3.624 1.436 0.00 0.00 +0.092 A ATOM 36 C LIG 1 3.311 -0.179 -0.162 0.00 0.00 +0.098 A BRANCH 32 37 ATOM 37 O LIG 1 2.883 5.960 1.507 0.00 0.00 -0.507 OA ATOM 38 H LIG 1 3.364 6.679 1.063 0.00 0.00 +0.292 HD ENDBRANCH 32 37 BRANCH 30 39 ATOM 39 O LIG 1 5.193 3.413 -1.816 0.00 0.00 -0.506 OA ATOM 40 H LIG 1 5.479 4.303 -2.073 0.00 0.00 +0.292 HD ENDBRANCH 30 39 ENDBRANCH 22 26 ENDBRANCH 10 20 BRANCH 7 41 ATOM 41 O LIG 1 0.527 -5.873 1.403 0.00 0.00 -0.506 OA ATOM 42 H LIG 1 1.164 -5.200 1.699 0.00 0.00 +0.292 HD ENDBRANCH 7 41 BRANCH 5 43 ATOM 43 O LIG 1 -3.098 -6.513 -1.503 0.00 0.00 -0.506 OA ATOM 44 H LIG 1 -3.772 -6.013 -2.018 0.00 0.00 +0.292 HD ENDBRANCH 5 43 TORSDOF 7