REMARK Name = BDB060927 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.244 -1.107 -0.252 0.00 0.00 +0.082 A ATOM 2 C LIG 1 -0.660 -0.180 -0.743 0.00 0.00 +0.127 A ATOM 3 N LIG 1 -1.890 -0.817 -0.699 0.00 0.00 -0.288 N ATOM 4 C LIG 1 -1.671 -2.057 -0.106 0.00 0.00 +0.140 A ATOM 5 C LIG 1 -2.800 -2.902 0.089 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -4.034 -2.523 -0.321 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -4.204 -1.216 -0.973 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -3.145 -0.407 -1.144 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.400 -2.248 0.172 0.00 0.00 -0.231 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.172 -3.368 -0.134 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -5.982 -3.883 -1.121 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -6.012 -3.800 -2.593 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -6.955 -4.640 -0.546 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -6.793 -4.643 0.827 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -5.721 -3.877 1.071 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -5.268 -3.662 2.466 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 N LIG 1 -0.466 1.089 -1.219 0.00 0.00 -0.325 N ATOM 18 H LIG 1 0.508 1.305 -1.437 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -1.016 2.191 -0.420 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 -0.286 3.468 -0.762 0.00 0.00 -0.030 A ATOM 21 C LIG 1 -0.580 4.157 -1.949 0.00 0.00 +0.005 A ATOM 22 C LIG 1 0.113 5.322 -2.281 0.00 0.00 +0.000 A ATOM 23 C LIG 1 1.113 5.803 -1.438 0.00 0.00 +0.000 A ATOM 24 C LIG 1 1.421 5.122 -0.262 0.00 0.00 +0.000 A ATOM 25 C LIG 1 0.727 3.958 0.075 0.00 0.00 +0.005 A ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 2 17 BRANCH 1 26 ATOM 26 C LIG 1 1.720 -0.978 -0.096 0.00 0.00 +0.063 C BRANCH 26 27 ATOM 27 C LIG 1 2.091 -0.200 1.167 0.00 0.00 +0.041 C BRANCH 27 31 ATOM 28 C LIG 1 6.367 0.362 1.467 0.00 0.00 +0.120 A ATOM 29 C LIG 1 5.577 1.318 0.830 0.00 0.00 +0.046 A ATOM 30 C LIG 1 4.191 1.139 0.737 0.00 0.00 +0.007 A ATOM 31 C LIG 1 3.581 0.003 1.284 0.00 0.00 -0.047 A ATOM 32 C LIG 1 4.378 -0.956 1.916 0.00 0.00 +0.007 A ATOM 33 C LIG 1 5.760 -0.774 2.007 0.00 0.00 +0.046 A BRANCH 28 35 ATOM 34 C LIG 1 8.391 1.550 1.090 0.00 0.00 +0.277 C ATOM 35 O LIG 1 7.724 0.415 1.628 0.00 0.00 -0.495 OA ENDBRANCH 28 35 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 8