REMARK Name = BDB002824 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.489 -1.642 -1.496 0.00 0.00 +0.054 C ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -3.227 -0.465 -0.315 0.00 0.00 +0.033 C ATOM 3 C LIG 1 -2.195 0.510 0.241 0.00 0.00 +0.083 C ATOM 4 C LIG 1 -0.797 0.237 -0.259 0.00 0.00 +0.145 C ATOM 5 O LIG 1 0.161 0.741 0.334 0.00 0.00 -0.297 OA ATOM 6 C LIG 1 -0.574 -0.497 -1.564 0.00 0.00 +0.130 C ATOM 7 C LIG 1 -1.828 -0.967 -2.292 0.00 0.00 +0.145 C ATOM 8 O LIG 1 -1.760 -1.650 -3.317 0.00 0.00 -0.297 OA ATOM 9 C LIG 1 -3.168 -0.450 -1.835 0.00 0.00 +0.083 C BRANCH 2 13 ATOM 10 C LIG 1 -7.243 0.360 1.127 0.00 0.00 +0.120 A ATOM 11 C LIG 1 -6.650 -0.888 1.320 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -5.356 -1.147 0.857 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -4.627 -0.156 0.185 0.00 0.00 -0.043 A ATOM 14 C LIG 1 -5.234 1.092 -0.018 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -6.530 1.348 0.452 0.00 0.00 +0.046 A BRANCH 10 17 ATOM 16 C LIG 1 -9.138 1.746 1.494 0.00 0.00 +0.277 C ATOM 17 O LIG 1 -8.507 0.478 1.632 0.00 0.00 -0.495 OA ENDBRANCH 10 17 ENDBRANCH 2 13 ENDBRANCH 1 6 BRANCH 1 18 ATOM 18 C LIG 1 1.956 -1.260 -1.084 0.00 0.00 +0.130 C ATOM 19 C LIG 1 2.493 -0.180 -2.021 0.00 0.00 +0.145 C ATOM 20 O LIG 1 2.047 -0.020 -3.158 0.00 0.00 -0.297 OA ATOM 21 C LIG 1 3.698 0.611 -1.586 0.00 0.00 +0.083 C ATOM 22 C LIG 1 3.459 1.139 -0.179 0.00 0.00 +0.033 C ATOM 23 C LIG 1 3.342 -0.034 0.785 0.00 0.00 +0.083 C ATOM 24 C LIG 1 2.236 -0.996 0.398 0.00 0.00 +0.145 C ATOM 25 O LIG 1 1.718 -1.669 1.290 0.00 0.00 -0.297 OA BRANCH 22 26 ATOM 26 C LIG 1 4.542 2.110 0.255 0.00 0.00 -0.043 A ATOM 27 C LIG 1 4.185 3.389 0.696 0.00 0.00 +0.007 A ATOM 28 C LIG 1 5.163 4.304 1.091 0.00 0.00 +0.046 A ATOM 29 C LIG 1 6.514 3.961 1.062 0.00 0.00 +0.120 A ATOM 30 C LIG 1 6.881 2.688 0.632 0.00 0.00 +0.046 A ATOM 31 C LIG 1 5.902 1.770 0.233 0.00 0.00 +0.007 A BRANCH 29 32 ATOM 32 O LIG 1 7.365 4.950 1.471 0.00 0.00 -0.495 OA ATOM 33 C LIG 1 8.748 4.629 1.523 0.00 0.00 +0.277 C ENDBRANCH 29 32 ENDBRANCH 22 26 ENDBRANCH 1 18 BRANCH 1 34 ATOM 34 C LIG 1 -0.033 -2.946 -0.883 0.00 0.00 -0.042 A ATOM 35 C LIG 1 0.024 -4.125 -1.647 0.00 0.00 +0.007 A ATOM 36 C LIG 1 -0.474 -5.334 -1.155 0.00 0.00 +0.045 A ATOM 37 C LIG 1 -1.036 -5.375 0.113 0.00 0.00 +0.117 A ATOM 38 C LIG 1 -1.103 -4.230 0.890 0.00 0.00 +0.045 A ATOM 39 C LIG 1 -0.605 -3.022 0.394 0.00 0.00 +0.007 A BRANCH 37 40 ATOM 40 O LIG 1 -1.532 -6.533 0.635 0.00 0.00 -0.507 OA ATOM 41 H LIG 1 -1.383 -7.250 -0.001 0.00 0.00 +0.292 HD ENDBRANCH 37 40 ENDBRANCH 1 34 TORSDOF 8