REMARK Name = BDB010859 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.339 2.651 -1.178 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -0.154 1.357 -1.033 0.00 0.00 -0.323 N ATOM 3 C LIG 1 -1.301 1.428 -0.265 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -1.383 2.768 0.084 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -2.349 3.306 0.843 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -3.258 2.398 1.214 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -3.281 1.087 0.921 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -2.294 0.549 0.175 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.371 3.497 -0.456 0.00 0.00 -0.212 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.359 2.918 2.055 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.393 4.227 2.355 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.735 4.933 2.068 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.475 4.424 3.118 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.838 5.490 3.588 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.113 3.220 3.287 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.342 2.249 2.568 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 1.361 4.485 -2.567 0.00 0.00 +0.022 C ATOM 18 C LIG 1 1.513 3.049 -2.048 0.00 0.00 +0.101 C BRANCH 18 19 ATOM 19 C LIG 1 2.849 2.877 -1.350 0.00 0.00 +0.051 A ATOM 20 N LIG 1 3.762 2.089 -1.978 0.00 0.00 -0.259 NA ATOM 21 C LIG 1 4.963 1.925 -1.379 0.00 0.00 +0.111 A ATOM 22 C LIG 1 5.306 2.501 -0.169 0.00 0.00 +0.020 A ATOM 23 C LIG 1 4.364 3.302 0.465 0.00 0.00 +0.003 A ATOM 24 C LIG 1 3.122 3.497 -0.130 0.00 0.00 +0.024 A ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 8 25 ATOM 25 N LIG 1 -2.330 -0.802 -0.129 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -1.428 -1.220 -0.281 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.257 -1.671 0.608 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -2.689 -1.976 1.995 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 -3.483 -2.937 -0.232 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -4.311 -4.126 0.335 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -3.428 -5.052 -0.530 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -2.335 -3.965 -0.454 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 2 33 ATOM 33 C LIG 1 0.423 0.169 -1.647 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 1.580 -0.456 -0.841 0.00 0.00 +0.009 C ATOM 35 C LIG 1 2.409 -1.383 -1.745 0.00 0.00 +0.005 C ATOM 36 C LIG 1 3.584 -2.008 -0.994 0.00 0.00 +0.003 C ATOM 37 C LIG 1 3.125 -2.752 0.266 0.00 0.00 -0.014 C ATOM 38 C LIG 1 4.323 -3.308 1.031 0.00 0.00 +0.007 C ATOM 39 C LIG 1 2.287 -1.834 1.164 0.00 0.00 +0.003 C ATOM 40 C LIG 1 1.110 -1.226 0.402 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 8