REMARK Name = BDB059946 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.036 -0.969 -1.778 0.00 0.00 +0.076 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -3.288 0.526 0.660 0.00 0.00 +0.122 A ATOM 3 C LIG 1 -3.552 -0.139 -0.533 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -2.500 -0.617 -1.323 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -1.169 -0.443 -0.927 0.00 0.00 -0.044 A ATOM 6 C LIG 1 -0.909 0.210 0.282 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -1.962 0.682 1.069 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 -4.210 1.035 1.528 0.00 0.00 -0.477 OA BRANCH 8 10 ATOM 9 C LIG 1 -5.401 2.478 -0.053 0.00 0.00 +0.065 C ATOM 10 C LIG 1 -5.512 1.455 1.094 0.00 0.00 +0.180 C ATOM 11 C LIG 1 -6.075 2.193 2.327 0.00 0.00 +0.065 C BRANCH 10 12 ATOM 12 C LIG 1 -6.514 0.291 0.783 0.00 0.00 +0.261 C ATOM 13 N LIG 1 -7.741 0.719 0.286 0.00 0.00 -0.282 N ATOM 14 H LIG 1 -7.891 1.716 0.210 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 -6.221 -0.883 1.000 0.00 0.00 -0.271 OA BRANCH 13 16 ATOM 16 C LIG 1 -8.839 -0.078 -0.105 0.00 0.00 +0.034 A ATOM 17 C LIG 1 -8.849 -1.474 -0.079 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -9.983 -2.184 -0.490 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -11.115 -1.506 -0.932 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -11.117 -0.115 -0.964 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -9.985 0.595 -0.553 0.00 0.00 +0.023 A ENDBRANCH 13 16 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 C LIG 1 0.601 -2.243 -1.209 0.00 0.00 +0.233 C BRANCH 22 23 ATOM 23 O LIG 1 1.446 -1.969 -0.088 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 2.736 -1.576 -0.304 0.00 0.00 +0.121 A ATOM 25 C LIG 1 3.348 -1.377 -1.538 0.00 0.00 +0.047 A ATOM 26 C LIG 1 4.686 -0.962 -1.602 0.00 0.00 +0.027 A ATOM 27 C LIG 1 5.430 -0.744 -0.436 0.00 0.00 +0.035 A ATOM 28 C LIG 1 4.811 -0.936 0.796 0.00 0.00 +0.027 A ATOM 29 C LIG 1 3.475 -1.352 0.858 0.00 0.00 +0.047 A BRANCH 27 30 ATOM 30 N LIG 1 6.764 -0.313 -0.592 0.00 0.00 -0.269 N ATOM 31 H LIG 1 7.096 -0.237 -1.541 0.00 0.00 +0.156 HD ATOM 32 C LIG 1 7.732 -0.188 0.396 0.00 0.00 +0.308 C ATOM 33 N LIG 1 8.877 0.391 -0.137 0.00 0.00 -0.269 N ATOM 34 H LIG 1 8.758 0.870 -1.015 0.00 0.00 +0.156 HD ATOM 35 O LIG 1 7.597 -0.537 1.560 0.00 0.00 -0.252 OA BRANCH 33 36 ATOM 36 C LIG 1 10.120 0.580 0.503 0.00 0.00 +0.035 A ATOM 37 C LIG 1 10.454 0.022 1.738 0.00 0.00 +0.023 A ATOM 38 C LIG 1 11.714 0.248 2.301 0.00 0.00 +0.002 A ATOM 39 C LIG 1 12.653 1.030 1.632 0.00 0.00 +0.000 A ATOM 40 C LIG 1 12.334 1.584 0.396 0.00 0.00 +0.002 A ATOM 41 C LIG 1 11.074 1.359 -0.166 0.00 0.00 +0.023 A ENDBRANCH 33 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 10