REMARK Name = BDB005795 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.425 0.711 0.577 0.00 0.00 -0.310 N ATOM 2 C LIG 1 1.613 0.004 0.468 0.00 0.00 +0.096 A ATOM 3 C LIG 1 2.405 0.824 -0.336 0.00 0.00 +0.095 A ATOM 4 C LIG 1 3.682 0.429 -0.727 0.00 0.00 +0.061 A ATOM 5 C LIG 1 4.085 -0.805 -0.262 0.00 0.00 +0.112 A ATOM 6 N LIG 1 3.344 -1.616 0.536 0.00 0.00 -0.241 NA ATOM 7 N LIG 1 1.764 1.989 -0.639 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 2.103 -1.225 0.931 0.00 0.00 +0.099 A ATOM 9 C LIG 1 0.586 1.933 -0.065 0.00 0.00 +0.202 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 5.414 -1.328 -0.619 0.00 0.00 +0.201 A ATOM 11 N LIG 1 5.797 -2.520 -0.145 0.00 0.00 -0.270 N ATOM 12 H LIG 1 5.267 -3.130 0.455 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 7.029 -2.748 -0.618 0.00 0.00 +0.440 A ATOM 14 O LIG 1 7.710 -3.737 -0.401 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 7.400 -1.676 -1.393 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 6.300 -0.757 -1.367 0.00 0.00 -0.053 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 1.420 -2.140 1.825 0.00 0.00 +0.022 A ATOM 18 C LIG 1 0.878 -3.346 1.363 0.00 0.00 +0.033 A ATOM 19 C LIG 1 0.230 -4.199 2.252 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -0.464 -5.668 1.700 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 0.151 -3.830 3.585 0.00 0.00 +0.130 A ATOM 22 N LIG 1 0.676 -2.683 4.077 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 1.311 -1.879 3.191 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 N LIG 1 -0.391 2.861 -0.056 0.00 0.00 -0.270 N ATOM 25 H LIG 1 -1.268 2.744 0.434 0.00 0.00 +0.156 HD BRANCH 24 26 ATOM 26 C LIG 1 -0.434 4.116 -0.661 0.00 0.00 +0.125 A ATOM 27 N LIG 1 -1.586 4.792 -0.437 0.00 0.00 -0.240 NA ATOM 28 C LIG 1 -1.720 6.021 -0.986 0.00 0.00 +0.113 A ATOM 29 C LIG 1 -0.753 6.628 -1.763 0.00 0.00 +0.020 A ATOM 30 C LIG 1 0.424 5.931 -1.988 0.00 0.00 +0.005 A ATOM 31 C LIG 1 0.585 4.662 -1.432 0.00 0.00 +0.044 A ENDBRANCH 24 26 ENDBRANCH 9 24 BRANCH 1 32 ATOM 32 C LIG 1 -0.808 0.280 1.217 0.00 0.00 +0.128 C BRANCH 32 37 ATOM 33 C LIG 1 -4.723 -0.145 -1.793 0.00 0.00 +0.007 C ATOM 34 C LIG 1 -4.127 -1.395 -1.139 0.00 0.00 -0.014 C ATOM 35 C LIG 1 -4.201 -1.317 0.388 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -3.261 -0.274 0.997 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -1.931 -0.106 0.234 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -1.609 -1.367 -0.575 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -2.689 -1.655 -1.624 0.00 0.00 +0.003 C ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 6