REMARK Name = BDB024682 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.208 -1.265 0.333 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.039 -1.496 1.078 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.021 -2.714 1.916 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.955 -2.574 3.130 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.633 -3.125 2.434 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.573 -2.870 1.385 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.588 -1.399 1.085 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.400 -0.658 0.918 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.898 -1.085 1.004 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.653 -0.035 0.756 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.872 1.086 0.531 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.452 0.701 0.630 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.666 1.382 0.512 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.843 0.637 0.670 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.828 -0.740 0.931 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.239 -1.920 0.468 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.359 2.428 0.218 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.952 2.896 -1.185 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -1.638 4.212 -1.560 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -1.879 5.142 -0.369 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -0.899 4.888 0.768 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -1.018 3.461 1.310 0.00 0.00 +0.025 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 6.260 -0.100 -1.416 0.00 0.00 +0.282 C ATOM 24 O LIG 1 5.093 -0.292 -0.617 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -3.152 -0.073 0.733 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -3.716 -0.160 -0.697 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 -3.518 -1.518 -1.352 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -4.179 -2.663 -0.881 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -3.982 -3.901 -1.495 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -3.120 -4.012 -2.584 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -2.452 -2.885 -3.058 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -2.648 -1.646 -2.446 0.00 0.00 +0.004 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 -5.180 0.232 -0.668 0.00 0.00 +0.313 C ATOM 34 O LIG 1 -5.984 0.009 0.223 0.00 0.00 -0.250 OA BRANCH 33 35 ATOM 35 O LIG 1 -5.566 0.897 -1.778 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -6.530 1.027 -1.656 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 26 33 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7