REMARK Name = BDB056438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.050 0.615 -0.615 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.817 1.343 0.208 0.00 0.00 -0.285 N ATOM 3 C LIG 1 -2.228 1.478 -0.269 0.00 0.00 +0.179 C ATOM 4 C LIG 1 -2.403 2.437 -1.465 0.00 0.00 +0.137 C ATOM 5 N LIG 1 -1.768 3.737 -1.184 0.00 0.00 -0.323 N ATOM 6 C LIG 1 -0.400 3.717 -0.603 0.00 0.00 +0.095 C ATOM 7 C LIG 1 -0.137 5.149 -0.081 0.00 0.00 +0.061 C ATOM 8 C LIG 1 -1.540 5.611 0.160 0.00 0.00 -0.023 A ATOM 9 C LIG 1 -1.966 6.720 0.875 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -3.340 6.975 0.936 0.00 0.00 +0.052 A ATOM 11 C LIG 1 -4.246 6.125 0.276 0.00 0.00 +0.021 A ATOM 12 C LIG 1 -3.791 5.016 -0.450 0.00 0.00 +0.024 A ATOM 13 C LIG 1 -2.433 4.756 -0.500 0.00 0.00 +0.033 A ATOM 14 C LIG 1 -0.300 2.678 0.563 0.00 0.00 +0.131 C ATOM 15 O LIG 1 -0.041 0.660 -1.845 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 16 ATOM 16 C LIG 1 -2.964 0.146 -0.485 0.00 0.00 +0.236 C ATOM 17 N LIG 1 -2.648 -0.816 0.453 0.00 0.00 -0.307 N ATOM 18 H LIG 1 -1.827 -0.662 1.023 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 -3.862 0.002 -1.309 0.00 0.00 -0.274 OA BRANCH 17 20 ATOM 20 C LIG 1 -3.211 -2.159 0.434 0.00 0.00 +0.110 C ATOM 21 C LIG 1 -2.269 -3.150 -0.211 0.00 0.00 +0.014 A ATOM 22 C LIG 1 -1.979 -4.368 0.418 0.00 0.00 +0.125 A ATOM 23 C LIG 1 -1.082 -5.270 -0.155 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -0.508 -4.993 -1.393 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -0.833 -3.815 -2.059 0.00 0.00 +0.001 A ATOM 26 O LIG 1 -2.527 -4.749 1.615 0.00 0.00 -0.492 OA ATOM 27 C LIG 1 -3.743 -4.067 1.928 0.00 0.00 +0.231 C ATOM 28 C LIG 1 -1.706 -2.898 -1.473 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -3.543 -2.567 1.869 0.00 0.00 +0.068 C ENDBRANCH 17 20 ENDBRANCH 3 16 BRANCH 10 30 ATOM 30 C LIG 1 -3.825 8.108 1.668 0.00 0.00 +0.099 C ATOM 31 N LIG 1 -4.214 9.023 2.268 0.00 0.00 -0.191 NA ENDBRANCH 10 30 BRANCH 1 32 ATOM 32 C LIG 1 1.058 -0.379 0.069 0.00 0.00 +0.162 C BRANCH 32 33 ATOM 33 C LIG 1 1.746 0.085 1.383 0.00 0.00 +0.018 C ATOM 34 C LIG 1 3.058 -0.666 1.705 0.00 0.00 +0.006 C ATOM 35 C LIG 1 3.697 -0.178 3.005 0.00 0.00 +0.000 C ATOM 36 C LIG 1 2.738 -0.293 4.181 0.00 0.00 +0.000 C ATOM 37 C LIG 1 1.423 0.419 3.892 0.00 0.00 +0.000 C ATOM 38 C LIG 1 0.791 -0.067 2.589 0.00 0.00 +0.006 C ENDBRANCH 32 33 BRANCH 32 40 ATOM 39 C LIG 1 2.524 -1.934 -1.215 0.00 0.00 +0.231 C ATOM 40 N LIG 1 2.029 -0.664 -1.000 0.00 0.00 -0.302 N ATOM 41 H LIG 1 1.955 -0.071 -1.823 0.00 0.00 +0.150 HD ATOM 42 O LIG 1 2.317 -2.877 -0.455 0.00 0.00 -0.274 OA BRANCH 39 43 ATOM 43 C LIG 1 3.385 -2.063 -2.494 0.00 0.00 +0.140 C BRANCH 43 44 ATOM 44 N LIG 1 4.351 -3.177 -2.355 0.00 0.00 -0.309 NA ATOM 45 H LIG 1 3.843 -3.960 -1.930 0.00 0.00 +0.122 HD ATOM 46 C LIG 1 5.457 -2.824 -1.472 0.00 0.00 +0.101 C ENDBRANCH 43 44 BRANCH 43 48 ATOM 47 C LIG 1 3.193 -2.279 -5.028 0.00 0.00 +0.006 C ATOM 48 C LIG 1 2.459 -2.311 -3.694 0.00 0.00 +0.025 C ENDBRANCH 43 48 ENDBRANCH 39 43 ENDBRANCH 32 40 ENDBRANCH 1 32 TORSDOF 9