REMARK Name = BDB024859 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.865 -2.421 -0.321 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.409 -1.091 -0.318 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.412 -0.050 -0.627 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.410 0.128 0.530 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.830 1.332 -0.965 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.557 1.194 -1.771 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.581 0.424 -0.931 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.220 0.782 -0.850 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.558 1.817 -1.460 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.699 1.736 -1.068 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.868 0.675 -0.204 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.349 0.042 -0.060 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -0.768 -1.071 0.672 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.120 -1.426 0.576 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.028 -0.714 -0.222 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.053 -2.730 -0.402 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -4.336 -4.710 -0.370 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -3.877 -3.361 -0.296 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 2.082 0.311 0.511 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 3.002 -0.597 -0.285 0.00 0.00 +0.235 C ATOM 21 N LIG 1 4.111 -1.120 0.391 0.00 0.00 -0.300 N ATOM 22 C LIG 1 4.556 -0.656 1.701 0.00 0.00 +0.132 C ATOM 23 O LIG 1 2.799 -0.849 -1.473 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 5.048 -1.965 -0.360 0.00 0.00 +0.141 C BRANCH 24 25 ATOM 25 C LIG 1 4.759 -3.492 -0.325 0.00 0.00 +0.076 C ATOM 26 C LIG 1 4.678 -4.043 1.101 0.00 0.00 +0.042 C ATOM 27 C LIG 1 3.493 -3.864 -1.098 0.00 0.00 +0.042 C BRANCH 25 28 ATOM 28 O LIG 1 5.848 -4.166 -0.980 0.00 0.00 -0.388 OA ATOM 29 H LIG 1 6.650 -4.048 -0.444 0.00 0.00 +0.210 HD ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 1.776 2.663 -1.534 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 2.190 3.743 -0.526 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 1.083 4.384 0.179 0.00 0.00 -0.315 N ATOM 33 C LIG 1 0.760 3.938 1.464 0.00 0.00 +0.251 A ATOM 34 O LIG 1 1.383 3.076 2.083 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -0.420 4.582 2.101 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -1.116 5.517 1.442 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -0.737 5.905 0.108 0.00 0.00 +0.018 A ATOM 38 C LIG 1 0.325 5.339 -0.477 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 9