REMARK Name = BDB024525 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.395 1.027 0.352 0.00 0.00 -0.324 N ATOM 2 C LIG 1 -0.721 0.312 0.749 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -1.721 1.268 0.882 0.00 0.00 +0.094 A ATOM 4 C LIG 1 -3.023 0.892 1.277 0.00 0.00 +0.002 A ATOM 5 C LIG 1 -4.128 1.899 1.401 0.00 0.00 +0.041 C ATOM 6 C LIG 1 -4.935 1.539 2.626 0.00 0.00 +0.027 C ATOM 7 C LIG 1 -5.536 0.132 2.483 0.00 0.00 +0.082 C ATOM 8 C LIG 1 -5.999 -0.310 3.883 0.00 0.00 +0.028 C ATOM 9 N LIG 1 -4.635 -0.873 1.866 0.00 0.00 -0.234 N ATOM 10 C LIG 1 -5.147 -2.115 1.448 0.00 0.00 +0.407 C ATOM 11 O LIG 1 -4.527 -2.999 0.868 0.00 0.00 -0.226 OA ATOM 12 C LIG 1 -3.298 -0.474 1.509 0.00 0.00 +0.045 A ATOM 13 C LIG 1 -2.260 -1.408 1.378 0.00 0.00 +0.026 A ATOM 14 N LIG 1 -1.242 2.516 0.582 0.00 0.00 -0.232 NA ATOM 15 C LIG 1 -0.961 -1.041 1.003 0.00 0.00 +0.030 A ATOM 16 C LIG 1 0.025 2.358 0.251 0.00 0.00 +0.115 A ENDROOT BRANCH 1 22 ATOM 17 C LIG 1 4.119 -0.941 -0.360 0.00 0.00 +0.104 C ATOM 18 C LIG 1 3.143 -0.927 -1.580 0.00 0.00 -0.020 C ATOM 19 C LIG 1 3.681 0.056 -2.640 0.00 0.00 +0.012 C ATOM 20 C LIG 1 3.011 -2.312 -2.250 0.00 0.00 +0.012 C ATOM 21 C LIG 1 1.713 -0.482 -1.143 0.00 0.00 +0.032 C ATOM 22 C LIG 1 1.718 0.475 0.062 0.00 0.00 +0.090 C ATOM 23 C LIG 1 2.383 -0.153 1.303 0.00 0.00 +0.026 C ATOM 24 C LIG 1 3.384 -1.256 0.950 0.00 0.00 +0.017 C BRANCH 17 25 ATOM 25 C LIG 1 5.346 -1.821 -0.571 0.00 0.00 +0.310 C ATOM 26 O LIG 1 6.344 -1.444 -1.172 0.00 0.00 -0.251 OA BRANCH 25 28 ATOM 27 C LIG 1 6.292 -3.937 -0.240 0.00 0.00 +0.280 C ATOM 28 O LIG 1 5.176 -3.066 -0.051 0.00 0.00 -0.468 OA ENDBRANCH 25 28 ENDBRANCH 17 25 ENDBRANCH 1 22 BRANCH 10 29 ATOM 29 O LIG 1 -6.483 -2.240 1.711 0.00 0.00 -0.453 OA ATOM 30 C LIG 1 -7.070 -3.458 1.251 0.00 0.00 +0.282 C ENDBRANCH 10 29 BRANCH 16 31 ATOM 31 C LIG 1 0.922 3.480 -0.185 0.00 0.00 +0.109 C BRANCH 31 32 ATOM 32 C LIG 1 1.287 3.463 -1.655 0.00 0.00 -0.040 A ATOM 33 C LIG 1 0.344 3.135 -2.642 0.00 0.00 +0.004 A ATOM 34 C LIG 1 0.697 3.141 -3.992 0.00 0.00 +0.000 A ATOM 35 C LIG 1 1.988 3.495 -4.375 0.00 0.00 +0.000 A ATOM 36 C LIG 1 2.926 3.852 -3.409 0.00 0.00 +0.000 A ATOM 37 C LIG 1 2.576 3.845 -2.058 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 16 31 TORSDOF 6