REMARK Name = BDB029418 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.975 0.165 0.290 0.00 0.00 +0.000 A ATOM 2 C LIG 1 0.209 -0.708 -0.477 0.00 0.00 +0.121 A ATOM 3 N LIG 1 -1.143 -0.671 -0.586 0.00 0.00 -0.240 NA ATOM 4 C LIG 1 -1.815 0.275 0.103 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -1.128 1.200 0.891 0.00 0.00 +0.044 A ATOM 6 C LIG 1 0.264 1.143 0.987 0.00 0.00 +0.013 A ENDROOT BRANCH 1 15 ATOM 7 O LIG 1 7.836 -0.242 -1.869 0.00 0.00 -0.275 OA ATOM 8 C LIG 1 6.812 -0.188 -1.209 0.00 0.00 +0.222 C ATOM 9 N LIG 1 5.522 -0.099 -1.717 0.00 0.00 -0.285 N ATOM 10 H LIG 1 5.325 -0.070 -2.706 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 4.583 -0.055 -0.699 0.00 0.00 +0.038 A ATOM 12 C LIG 1 5.225 -0.112 0.534 0.00 0.00 -0.017 A ATOM 13 C LIG 1 4.499 -0.080 1.706 0.00 0.00 +0.006 A ATOM 14 C LIG 1 3.104 0.012 1.609 0.00 0.00 +0.009 A ATOM 15 C LIG 1 2.440 0.069 0.355 0.00 0.00 -0.015 A ATOM 16 C LIG 1 3.212 0.035 -0.821 0.00 0.00 +0.032 A ATOM 17 C LIG 1 6.707 -0.204 0.321 0.00 0.00 +0.133 C ENDBRANCH 1 15 BRANCH 4 18 ATOM 18 N LIG 1 -3.223 0.360 0.011 0.00 0.00 -0.315 N ATOM 19 C LIG 1 -3.756 -0.428 -1.113 0.00 0.00 +0.106 C ATOM 20 C LIG 1 -5.252 -0.153 -1.265 0.00 0.00 +0.019 C ATOM 21 C LIG 1 -5.999 -0.440 0.034 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -5.372 0.327 1.195 0.00 0.00 +0.019 C ATOM 23 C LIG 1 -3.870 0.055 1.298 0.00 0.00 +0.106 C ENDBRANCH 4 18 TORSDOF 2