REMARK Name = BDB018418 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.939 -2.257 -0.433 0.00 0.00 -0.004 A ATOM 2 C LIG 1 -0.531 -2.160 -0.434 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -1.234 -3.307 -0.338 0.00 0.00 +0.098 A ATOM 4 N LIG 1 -0.636 -4.552 -0.254 0.00 0.00 -0.318 N ATOM 5 C LIG 1 -1.488 -5.728 -0.165 0.00 0.00 +0.152 C ATOM 6 C LIG 1 0.743 -4.713 -0.269 0.00 0.00 +0.252 A ATOM 7 O LIG 1 1.331 -5.788 -0.215 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 1.534 -3.462 -0.354 0.00 0.00 +0.079 A ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 3.580 1.122 -0.510 0.00 0.00 +0.037 A ATOM 10 C LIG 1 2.818 0.849 0.632 0.00 0.00 +0.013 A ATOM 11 C LIG 1 1.964 -0.258 0.656 0.00 0.00 +0.009 A ATOM 12 C LIG 1 1.854 -1.096 -0.462 0.00 0.00 -0.017 A ATOM 13 C LIG 1 2.608 -0.811 -1.609 0.00 0.00 +0.009 A ATOM 14 C LIG 1 3.462 0.294 -1.634 0.00 0.00 +0.013 A BRANCH 9 18 ATOM 15 C LIG 1 6.025 3.776 0.625 0.00 0.00 +0.128 C ATOM 16 N LIG 1 5.032 2.732 0.610 0.00 0.00 -0.314 N ATOM 17 H LIG 1 4.976 2.127 1.417 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 4.502 2.290 -0.586 0.00 0.00 +0.244 C ATOM 19 O LIG 1 4.781 2.784 -1.673 0.00 0.00 -0.270 OA ENDBRANCH 9 18 ENDBRANCH 1 12 BRANCH 2 20 ATOM 20 C LIG 1 -1.206 -0.898 -0.536 0.00 0.00 +0.022 A ATOM 21 C LIG 1 -2.236 -0.456 0.267 0.00 0.00 +0.123 A ATOM 22 N LIG 1 -2.581 0.810 -0.157 0.00 0.00 -0.238 N ATOM 23 N LIG 1 -1.856 1.155 -1.258 0.00 0.00 -0.174 NA ATOM 24 C LIG 1 -1.016 0.140 -1.457 0.00 0.00 +0.143 A BRANCH 22 25 ATOM 25 C LIG 1 -3.555 1.727 0.358 0.00 0.00 +0.083 A ATOM 26 C LIG 1 -4.204 1.595 1.600 0.00 0.00 +0.077 A ATOM 27 C LIG 1 -5.167 2.552 1.984 0.00 0.00 +0.021 A ATOM 28 C LIG 1 -5.480 3.634 1.164 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -4.828 3.783 -0.051 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -3.874 2.843 -0.449 0.00 0.00 +0.029 A BRANCH 26 31 ATOM 31 C LIG 1 -3.924 0.578 2.570 0.00 0.00 +0.101 C ATOM 32 N LIG 1 -3.716 -0.235 3.372 0.00 0.00 -0.191 NA ENDBRANCH 26 31 ENDBRANCH 22 25 ENDBRANCH 2 20 TORSDOF 5