REMARK Name = BDB010589 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.126 0.378 -0.069 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -0.486 1.582 0.201 0.00 0.00 +0.115 A ATOM 3 C LIG 1 0.474 2.287 0.913 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.291 3.515 1.425 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -0.937 3.995 1.181 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.933 3.404 0.496 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 1.636 1.589 1.028 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.721 2.177 -0.031 0.00 0.00 +0.101 A ATOM 9 C LIG 1 1.421 0.454 0.410 0.00 0.00 +0.201 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 2.300 -0.571 0.237 0.00 0.00 -0.293 N ATOM 11 C LIG 1 3.302 -0.424 -0.872 0.00 0.00 +0.105 C ATOM 12 C LIG 1 4.665 0.041 -0.297 0.00 0.00 +0.139 C ATOM 13 C LIG 1 5.665 0.478 -1.375 0.00 0.00 +0.033 C ATOM 14 C LIG 1 5.295 -0.049 -2.758 0.00 0.00 +0.003 C ATOM 15 C LIG 1 3.897 0.399 -3.191 0.00 0.00 +0.002 C ATOM 16 O LIG 1 5.256 -1.008 0.498 0.00 0.00 -0.373 OA ATOM 17 C LIG 1 4.276 -1.756 1.242 0.00 0.00 +0.179 C ATOM 18 C LIG 1 2.880 0.465 -2.044 0.00 0.00 +0.025 C ATOM 19 C LIG 1 2.973 -0.982 1.512 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 20 ATOM 20 C LIG 1 -1.208 5.339 1.741 0.00 0.00 +0.220 A ATOM 21 N LIG 1 -0.238 5.974 2.421 0.00 0.00 -0.269 N ATOM 22 H LIG 1 0.693 5.640 2.609 0.00 0.00 +0.174 HD ATOM 23 C LIG 1 -0.744 7.150 2.812 0.00 0.00 +0.440 A ATOM 24 O LIG 1 -0.158 8.004 3.458 0.00 0.00 -0.221 OA ATOM 25 O LIG 1 -2.039 7.236 2.365 0.00 0.00 -0.295 OA ATOM 26 N LIG 1 -2.307 6.017 1.662 0.00 0.00 -0.051 NA ENDBRANCH 5 20 BRANCH 8 27 ATOM 27 C LIG 1 -2.819 1.605 -0.799 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -2.732 1.461 -2.192 0.00 0.00 +0.030 A ATOM 29 C LIG 1 -3.792 0.911 -2.914 0.00 0.00 +0.042 A ATOM 30 CL LIG 1 -3.648 0.713 -4.617 0.00 0.00 -0.084 Cl ATOM 31 C LIG 1 -4.960 0.514 -2.268 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -5.074 0.678 -0.889 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -4.013 1.226 -0.163 0.00 0.00 +0.010 A ENDBRANCH 8 27 BRANCH 1 34 ATOM 34 C LIG 1 -0.456 -0.786 -0.715 0.00 0.00 +0.128 C BRANCH 34 39 ATOM 35 C LIG 1 -3.450 -4.928 2.147 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -2.458 -4.137 1.296 0.00 0.00 -0.014 C ATOM 37 C LIG 1 -1.680 -3.138 2.159 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -0.715 -2.296 1.325 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -1.434 -1.575 0.173 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -2.213 -2.584 -0.686 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -3.180 -3.417 0.151 0.00 0.00 +0.003 C ENDBRANCH 34 39 ENDBRANCH 1 34 TORSDOF 5