REMARK Name = BDB005152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.240 3.311 -0.438 0.00 0.00 +0.130 A ATOM 2 C LIG 1 -1.513 2.729 -0.615 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -2.038 2.746 -1.918 0.00 0.00 +0.088 A ATOM 4 C LIG 1 -3.309 2.168 -2.109 0.00 0.00 +0.066 A ATOM 5 C LIG 1 -4.032 1.597 -1.041 0.00 0.00 +0.060 A ATOM 6 C LIG 1 -3.506 1.578 0.238 0.00 0.00 +0.123 A ATOM 7 N LIG 1 -1.337 3.301 -2.932 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 -0.136 3.820 -2.652 0.00 0.00 +0.223 A ATOM 9 C LIG 1 -2.250 2.137 0.441 0.00 0.00 +0.059 A ATOM 10 N LIG 1 0.440 3.860 -1.454 0.00 0.00 -0.220 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -3.993 2.123 -3.441 0.00 0.00 +0.244 C ATOM 12 O LIG 1 -5.161 1.763 -3.550 0.00 0.00 -0.270 OA ATOM 13 N LIG 1 -3.290 2.498 -4.546 0.00 0.00 -0.325 N ATOM 14 H LIG 1 -3.768 2.541 -5.434 0.00 0.00 +0.145 HD ATOM 15 H LIG 1 -2.365 2.909 -4.455 0.00 0.00 +0.145 HD ENDBRANCH 4 11 BRANCH 1 16 ATOM 16 N LIG 1 0.337 3.321 0.853 0.00 0.00 -0.322 N ATOM 17 H LIG 1 -0.286 3.843 1.462 0.00 0.00 +0.148 HD BRANCH 16 19 ATOM 18 C LIG 1 2.029 4.097 2.427 0.00 0.00 +0.033 C ATOM 19 C LIG 1 1.720 3.808 0.952 0.00 0.00 +0.099 C BRANCH 19 20 ATOM 20 C LIG 1 2.713 2.782 0.424 0.00 0.00 -0.026 A ATOM 21 C LIG 1 2.586 1.413 0.723 0.00 0.00 +0.028 A ATOM 22 C LIG 1 3.503 0.471 0.236 0.00 0.00 +0.037 A ATOM 23 C LIG 1 4.567 0.909 -0.551 0.00 0.00 +0.023 A ATOM 24 C LIG 1 4.711 2.265 -0.851 0.00 0.00 +0.002 A ATOM 25 C LIG 1 3.791 3.196 -0.368 0.00 0.00 +0.005 A BRANCH 22 26 ATOM 26 N LIG 1 3.281 -0.873 0.575 0.00 0.00 -0.251 N ATOM 27 H LIG 1 2.475 -1.090 1.144 0.00 0.00 +0.158 HD ATOM 28 C LIG 1 4.006 -1.974 0.221 0.00 0.00 +0.405 C ATOM 29 O LIG 1 5.012 -2.020 -0.467 0.00 0.00 -0.226 OA BRANCH 28 30 ATOM 30 O LIG 1 3.403 -3.055 0.780 0.00 0.00 -0.444 OA BRANCH 30 31 ATOM 31 C LIG 1 3.932 -4.392 0.580 0.00 0.00 +0.107 C ATOM 32 C LIG 1 2.979 -5.308 1.362 0.00 0.00 +0.055 C ATOM 33 C LIG 1 5.339 -4.531 1.172 0.00 0.00 +0.055 C ATOM 34 C LIG 1 3.890 -4.792 -0.899 0.00 0.00 +0.055 C ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 22 26 ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 1 16 BRANCH 6 35 ATOM 35 O LIG 1 -4.090 1.061 1.358 0.00 0.00 -0.487 OA BRANCH 35 36 ATOM 36 C LIG 1 -5.379 0.449 1.248 0.00 0.00 +0.264 C BRANCH 36 37 ATOM 37 C LIG 1 -5.290 -0.990 0.802 0.00 0.00 -0.010 A ATOM 38 C LIG 1 -6.075 -1.461 -0.260 0.00 0.00 +0.007 A ATOM 39 C LIG 1 -6.001 -2.797 -0.657 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.150 -3.678 0.009 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -4.370 -3.224 1.070 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -4.440 -1.888 1.466 0.00 0.00 +0.007 A ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 10