REMARK Name = BDB023944 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.899 4.085 3.143 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -4.920 2.997 2.921 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -4.656 2.074 1.916 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -3.610 2.303 0.897 0.00 0.00 +0.146 C ATOM 5 C LIG 1 -3.283 1.035 0.193 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.256 0.729 -0.734 0.00 0.00 +0.098 A ATOM 7 N LIG 1 -2.312 -0.560 -1.103 0.00 0.00 -0.170 NA ATOM 8 N LIG 1 -3.356 -1.076 -0.418 0.00 0.00 -0.264 N ATOM 9 C LIG 1 -3.977 -0.144 0.356 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -5.140 -0.314 1.261 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -5.706 1.081 1.602 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -5.929 2.948 3.625 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -1.235 1.626 -1.264 0.00 0.00 +0.012 A ATOM 14 C LIG 1 0.145 1.441 -0.975 0.00 0.00 +0.010 A ATOM 15 C LIG 1 1.082 2.355 -1.489 0.00 0.00 -0.013 A ATOM 16 C LIG 1 2.445 2.183 -1.197 0.00 0.00 +0.052 A ATOM 17 C LIG 1 2.882 1.118 -0.410 0.00 0.00 +0.122 A ATOM 18 N LIG 1 1.992 0.246 0.102 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 0.640 3.430 -2.281 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -0.713 3.602 -2.567 0.00 0.00 +0.001 A ATOM 21 C LIG 1 0.677 0.411 -0.190 0.00 0.00 +0.122 A ATOM 22 C LIG 1 -1.648 2.704 -2.061 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 N LIG 1 4.215 0.953 -0.101 0.00 0.00 -0.314 N ATOM 24 C LIG 1 4.612 -0.211 0.699 0.00 0.00 +0.125 C ATOM 25 C LIG 1 6.159 -0.143 0.664 0.00 0.00 +0.075 C ATOM 26 C LIG 1 6.402 0.333 -0.774 0.00 0.00 +0.039 C ATOM 27 C LIG 1 5.287 1.358 -1.004 0.00 0.00 +0.108 C BRANCH 25 28 ATOM 28 N LIG 1 6.901 -1.333 1.121 0.00 0.00 -0.304 NA ATOM 29 C LIG 1 6.615 -2.558 0.378 0.00 0.00 +0.104 C ATOM 30 C LIG 1 8.343 -1.087 1.156 0.00 0.00 +0.104 C ENDBRANCH 25 28 ENDBRANCH 17 23 ENDBRANCH 6 13 BRANCH 8 31 ATOM 31 C LIG 1 -3.665 -2.494 -0.544 0.00 0.00 +0.112 C ATOM 32 C LIG 1 -2.603 -3.365 0.142 0.00 0.00 +0.055 C ATOM 33 C LIG 1 -2.520 -4.746 -0.493 0.00 0.00 +0.162 C ATOM 34 O LIG 1 -3.811 -5.143 -0.943 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -4.249 -4.392 -2.077 0.00 0.00 +0.162 C ATOM 36 C LIG 1 -3.866 -2.917 -2.000 0.00 0.00 +0.055 C ENDBRANCH 8 31 TORSDOF 4