REMARK Name = BDB010391 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.779 -0.385 0.879 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.587 -1.087 0.705 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.580 -2.470 0.809 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.668 -2.986 0.632 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.456 -1.952 0.474 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.666 -3.216 1.063 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.760 -2.474 1.230 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.728 -0.777 0.425 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.872 -1.126 1.157 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.809 -1.971 0.313 0.00 0.00 -0.299 N ATOM 11 C LIG 1 3.614 -1.637 1.511 0.00 0.00 +0.136 C ATOM 12 C LIG 1 3.607 -2.744 2.574 0.00 0.00 +0.178 C ATOM 13 O LIG 1 4.638 -3.718 2.425 0.00 0.00 -0.378 OA ATOM 14 C LIG 1 4.823 -4.285 1.135 0.00 0.00 +0.161 C ATOM 15 C LIG 1 3.591 -4.376 0.241 0.00 0.00 +0.047 C ATOM 16 C LIG 1 3.337 -3.070 -0.512 0.00 0.00 +0.110 C ENDBRANCH 5 10 BRANCH 7 17 ATOM 17 C LIG 1 -4.021 -3.185 1.533 0.00 0.00 +0.220 A ATOM 18 N LIG 1 -5.137 -2.467 1.744 0.00 0.00 -0.269 N ATOM 19 H LIG 1 -5.222 -1.465 1.728 0.00 0.00 +0.174 HD ATOM 20 C LIG 1 -6.121 -3.339 1.996 0.00 0.00 +0.440 A ATOM 21 O LIG 1 -7.283 -3.055 2.237 0.00 0.00 -0.221 OA ATOM 22 O LIG 1 -5.603 -4.608 1.936 0.00 0.00 -0.295 OA ATOM 23 N LIG 1 -4.210 -4.462 1.628 0.00 0.00 -0.051 NA ENDBRANCH 7 17 BRANCH 1 24 ATOM 24 N LIG 1 -1.884 0.995 0.815 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -1.160 1.458 0.288 0.00 0.00 +0.148 HD BRANCH 24 27 ATOM 26 C LIG 1 -3.663 1.508 -0.792 0.00 0.00 +0.028 C ATOM 27 C LIG 1 -3.206 1.606 0.665 0.00 0.00 +0.072 C BRANCH 27 28 ATOM 28 C LIG 1 -3.111 3.082 1.064 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -2.842 3.373 2.568 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -3.770 4.596 2.423 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -4.449 3.851 1.256 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 8 32 ATOM 32 C LIG 1 1.262 0.535 0.104 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 0.928 1.020 -1.325 0.00 0.00 +0.009 C ATOM 34 C LIG 1 1.713 0.265 -2.418 0.00 0.00 +0.005 C ATOM 35 C LIG 1 3.009 0.976 -2.793 0.00 0.00 +0.003 C ATOM 36 C LIG 1 2.753 2.388 -3.352 0.00 0.00 -0.014 C ATOM 37 C LIG 1 2.761 2.394 -4.882 0.00 0.00 +0.007 C ATOM 38 C LIG 1 1.443 3.000 -2.828 0.00 0.00 +0.003 C ATOM 39 C LIG 1 1.152 2.544 -1.404 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 7