REMARK Name = BDB018557 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.024 -1.187 -2.277 0.00 0.00 -0.002 A ATOM 2 C LIG 1 0.711 -1.968 -1.234 0.00 0.00 +0.009 A ATOM 3 C LIG 1 1.571 -2.928 -1.632 0.00 0.00 +0.098 A ATOM 4 N LIG 1 1.810 -3.217 -2.964 0.00 0.00 -0.318 N ATOM 5 C LIG 1 2.762 -4.270 -3.285 0.00 0.00 +0.152 C ATOM 6 C LIG 1 1.187 -2.527 -3.994 0.00 0.00 +0.252 A ATOM 7 O LIG 1 1.358 -2.735 -5.192 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.253 -1.454 -3.576 0.00 0.00 +0.079 A ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 -2.495 2.101 -1.470 0.00 0.00 +0.215 A ATOM 10 N LIG 1 -1.176 2.225 -1.221 0.00 0.00 -0.221 NA ATOM 11 C LIG 1 -0.403 1.148 -1.494 0.00 0.00 +0.123 A ATOM 12 C LIG 1 -0.883 -0.055 -2.009 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -2.256 -0.143 -2.255 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -3.074 0.951 -1.982 0.00 0.00 +0.068 A BRANCH 9 15 ATOM 15 O LIG 1 -3.354 3.153 -1.224 0.00 0.00 -0.474 OA BRANCH 15 17 ATOM 16 C LIG 1 -3.833 5.080 0.078 0.00 0.00 +0.051 C ATOM 17 C LIG 1 -2.741 4.330 -0.682 0.00 0.00 +0.169 C ATOM 18 C LIG 1 -2.199 5.207 -1.809 0.00 0.00 +0.051 C ENDBRANCH 15 17 ENDBRANCH 9 15 ENDBRANCH 1 12 BRANCH 2 19 ATOM 19 C LIG 1 0.491 -1.728 0.163 0.00 0.00 +0.022 A ATOM 20 C LIG 1 1.468 -1.534 1.115 0.00 0.00 +0.123 A ATOM 21 N LIG 1 0.837 -1.358 2.327 0.00 0.00 -0.238 N ATOM 22 N LIG 1 -0.515 -1.368 2.168 0.00 0.00 -0.174 NA ATOM 23 C LIG 1 -0.713 -1.618 0.873 0.00 0.00 +0.143 A BRANCH 21 24 ATOM 24 C LIG 1 1.391 -1.149 3.629 0.00 0.00 +0.085 A ATOM 25 C LIG 1 2.724 -1.433 3.976 0.00 0.00 +0.112 A ATOM 26 C LIG 1 3.160 -1.147 5.278 0.00 0.00 +0.143 A ATOM 27 F LIG 1 4.427 -1.407 5.635 0.00 0.00 -0.204 F ATOM 28 C LIG 1 2.311 -0.606 6.238 0.00 0.00 +0.040 A ATOM 29 C LIG 1 0.986 -0.354 5.911 0.00 0.00 +0.005 A ATOM 30 C LIG 1 0.528 -0.627 4.621 0.00 0.00 +0.029 A BRANCH 25 31 ATOM 31 C LIG 1 3.671 -2.082 3.121 0.00 0.00 +0.104 C ATOM 32 N LIG 1 4.423 -2.615 2.416 0.00 0.00 -0.191 NA ENDBRANCH 25 31 ENDBRANCH 21 24 ENDBRANCH 2 19 TORSDOF 6