REMARK Name = BDB008266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.754 0.004 0.878 0.00 0.00 +0.128 A ATOM 2 N LIG 1 0.720 1.148 0.167 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.112 1.234 -0.884 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.937 0.184 -1.260 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.906 -1.003 -0.524 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -0.039 -1.087 0.569 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.784 -2.133 -0.885 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -3.118 -2.213 -0.369 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -3.954 -3.291 -0.738 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -5.219 -3.428 -0.301 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -5.711 -2.492 0.537 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -4.990 -1.400 0.969 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -3.458 -4.259 -1.592 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -2.160 -4.201 -2.097 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -3.684 -1.264 0.512 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -1.313 -3.143 -1.758 0.00 0.00 -0.042 A ATOM 17 C LIG 1 0.084 -3.122 -2.322 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 1.978 -0.950 2.840 0.00 0.00 +0.235 C ATOM 19 N LIG 1 1.640 0.045 1.950 0.00 0.00 -0.269 N ATOM 20 H LIG 1 2.164 0.913 2.023 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 1.546 -2.099 2.833 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 2.934 -0.435 3.942 0.00 0.00 +0.137 C ATOM 23 C LIG 1 3.546 -1.574 4.755 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 4.931 -0.107 2.530 0.00 0.00 +0.101 C ATOM 25 N LIG 1 3.932 0.519 3.391 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 4.414 0.964 4.173 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 -0.182 2.404 -1.643 0.00 0.00 -0.265 N ATOM 28 H LIG 1 -0.824 2.434 -2.428 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 0.547 3.557 -1.438 0.00 0.00 +0.268 C ATOM 30 O LIG 1 1.384 3.777 -0.571 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 0.223 4.627 -2.437 0.00 0.00 +0.129 A ATOM 32 N LIG 1 -0.715 4.305 -3.368 0.00 0.00 -0.231 NA ATOM 33 C LIG 1 -0.984 5.275 -4.250 0.00 0.00 +0.221 A ATOM 34 N LIG 1 -0.419 6.491 -4.282 0.00 0.00 -0.244 NA ATOM 35 C LIG 1 0.501 6.749 -3.333 0.00 0.00 +0.115 A ATOM 36 C LIG 1 0.867 5.843 -2.370 0.00 0.00 +0.053 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6