REMARK Name = BDB004129 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.001 -3.022 -0.977 0.00 0.00 +0.173 C ATOM 2 N LIG 1 3.413 -1.766 -0.396 0.00 0.00 -0.265 N ATOM 3 C LIG 1 2.592 -0.784 0.090 0.00 0.00 +0.071 A ATOM 4 C LIG 1 3.454 0.199 0.573 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.876 1.316 1.213 0.00 0.00 +0.014 A ATOM 6 C LIG 1 1.480 1.432 1.294 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.633 0.451 0.767 0.00 0.00 -0.042 A ATOM 8 C LIG 1 4.778 -0.289 0.293 0.00 0.00 +0.159 A ATOM 9 C LIG 1 1.193 -0.685 0.160 0.00 0.00 +0.032 A ATOM 10 N LIG 1 4.717 -1.488 -0.298 0.00 0.00 -0.155 NA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 6.009 0.354 0.514 0.00 0.00 -0.234 N ATOM 12 C LIG 1 7.125 -0.432 0.803 0.00 0.00 +0.314 C ATOM 13 O LIG 1 7.126 -1.613 1.151 0.00 0.00 -0.252 OA ATOM 14 N LIG 1 8.343 0.205 0.773 0.00 0.00 -0.236 N ATOM 15 H LIG 1 9.016 -0.466 1.127 0.00 0.00 +0.159 HD ATOM 16 C LIG 1 8.848 0.656 -0.413 0.00 0.00 +0.244 C ATOM 17 O LIG 1 9.941 0.284 -0.828 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 8.066 1.646 -1.191 0.00 0.00 +0.065 C ATOM 19 C LIG 1 6.891 2.166 -0.807 0.00 0.00 -0.003 C ATOM 20 C LIG 1 6.150 1.798 0.441 0.00 0.00 +0.144 C ENDBRANCH 8 11 BRANCH 7 21 ATOM 21 C LIG 1 -0.874 0.623 0.881 0.00 0.00 +0.022 C ATOM 22 C LIG 1 -1.552 0.679 -0.496 0.00 0.00 +0.027 C ATOM 23 C LIG 1 -3.058 0.876 -0.357 0.00 0.00 +0.111 C ATOM 24 N LIG 1 -3.661 -0.097 0.550 0.00 0.00 -0.267 N ATOM 25 C LIG 1 -5.003 -0.453 0.444 0.00 0.00 +0.403 C ATOM 26 O LIG 1 -5.611 -1.066 1.312 0.00 0.00 -0.226 OA ATOM 27 C LIG 1 -3.022 -0.270 1.849 0.00 0.00 +0.111 C ATOM 28 C LIG 1 -1.517 -0.483 1.730 0.00 0.00 +0.027 C BRANCH 25 29 ATOM 29 O LIG 1 -5.552 -0.041 -0.728 0.00 0.00 -0.445 OA BRANCH 29 30 ATOM 30 C LIG 1 -6.941 -0.316 -1.043 0.00 0.00 +0.107 C ATOM 31 C LIG 1 -7.206 -1.822 -1.137 0.00 0.00 +0.055 C ATOM 32 C LIG 1 -7.886 0.374 -0.052 0.00 0.00 +0.055 C ATOM 33 C LIG 1 -7.152 0.306 -2.433 0.00 0.00 +0.055 C ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 7 21 TORSDOF 4