REMARK Name = BDB051422 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.362 -2.093 -1.426 0.00 0.00 +0.238 A ATOM 2 N LIG 1 1.093 -3.159 -1.604 0.00 0.00 -0.130 NA ATOM 3 N LIG 1 2.277 -3.147 -0.998 0.00 0.00 -0.233 N ATOM 4 C LIG 1 2.751 -2.127 -0.237 0.00 0.00 +0.106 A ATOM 5 C LIG 1 4.019 -2.460 0.199 0.00 0.00 +0.033 A ATOM 6 C LIG 1 4.313 -3.745 -0.324 0.00 0.00 +0.022 A ATOM 7 C LIG 1 1.898 -0.986 -0.049 0.00 0.00 +0.153 A ATOM 8 C LIG 1 3.216 -4.142 -1.057 0.00 0.00 +0.113 A ATOM 9 N LIG 1 0.738 -1.033 -0.635 0.00 0.00 -0.196 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -0.971 0.414 -2.658 0.00 0.00 +0.042 C ATOM 11 C LIG 1 -1.730 -0.848 -2.248 0.00 0.00 +0.111 C ATOM 12 N LIG 1 -0.861 -2.036 -2.059 0.00 0.00 -0.284 N ATOM 13 C LIG 1 -1.376 -3.184 -2.807 0.00 0.00 +0.109 C ATOM 14 C LIG 1 -2.771 -2.774 -3.246 0.00 0.00 +0.022 C ATOM 15 C LIG 1 -2.621 -1.277 -3.445 0.00 0.00 +0.037 C BRANCH 11 16 ATOM 16 C LIG 1 -2.615 -0.592 -0.987 0.00 0.00 +0.241 C ATOM 17 N LIG 1 -1.911 -0.441 0.191 0.00 0.00 -0.282 N ATOM 18 H LIG 1 -0.888 -0.449 0.102 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -3.841 -0.520 -1.067 0.00 0.00 -0.273 OA BRANCH 17 20 ATOM 20 C LIG 1 -2.439 -0.264 1.485 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -3.788 -0.097 1.790 0.00 0.00 +0.137 A ATOM 22 N LIG 1 -4.273 0.090 3.047 0.00 0.00 -0.226 NA ATOM 23 C LIG 1 -3.370 0.094 4.045 0.00 0.00 +0.213 A ATOM 24 F LIG 1 -3.823 0.278 5.293 0.00 0.00 -0.184 F ATOM 25 C LIG 1 -2.011 -0.070 3.856 0.00 0.00 +0.061 A ATOM 26 C LIG 1 -1.543 -0.248 2.556 0.00 0.00 +0.029 A ENDBRANCH 17 20 ENDBRANCH 11 16 ENDBRANCH 1 12 BRANCH 7 27 ATOM 27 N LIG 1 2.344 0.062 0.735 0.00 0.00 -0.281 N ATOM 28 H LIG 1 3.276 -0.035 1.107 0.00 0.00 +0.155 HD BRANCH 27 29 ATOM 29 C LIG 1 1.671 1.209 0.966 0.00 0.00 +0.146 A ATOM 30 N LIG 1 0.458 1.567 0.541 0.00 0.00 -0.158 NA ATOM 31 N LIG 1 0.256 2.790 1.053 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -0.621 3.261 0.854 0.00 0.00 +0.189 HD ATOM 33 C LIG 1 1.301 3.234 1.801 0.00 0.00 +0.041 A ATOM 34 C LIG 1 2.236 2.231 1.776 0.00 0.00 +0.068 A BRANCH 33 35 ATOM 35 C LIG 1 1.379 4.592 2.532 0.00 0.00 +0.037 C ATOM 36 C LIG 1 2.714 5.246 2.767 0.00 0.00 +0.010 C ATOM 37 C LIG 1 1.779 5.806 1.736 0.00 0.00 +0.010 C ENDBRANCH 33 35 ENDBRANCH 27 29 ENDBRANCH 7 27 TORSDOF 6