REMARK Name = BDB026407 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.265 1.067 -0.639 0.00 0.00 -0.280 N ATOM 2 C LIG 1 1.367 0.436 -1.490 0.00 0.00 +0.305 C ATOM 3 O LIG 1 1.414 0.389 -2.708 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 0.350 -0.104 -0.703 0.00 0.00 -0.281 N ATOM 5 C LIG 1 0.469 0.369 0.660 0.00 0.00 +0.128 C ATOM 6 C LIG 1 1.919 0.830 0.745 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 3.551 1.581 -1.061 0.00 0.00 +0.144 C BRANCH 7 14 ATOM 8 C LIG 1 7.997 0.950 2.364 0.00 0.00 +0.150 C ATOM 9 N LIG 1 7.673 -0.054 1.384 0.00 0.00 -0.333 N ATOM 10 C LIG 1 6.625 -0.012 0.497 0.00 0.00 +0.069 A ATOM 11 C LIG 1 6.752 -1.196 -0.225 0.00 0.00 +0.089 A ATOM 12 C LIG 1 5.830 -1.484 -1.241 0.00 0.00 +0.030 A ATOM 13 C LIG 1 4.803 -0.566 -1.500 0.00 0.00 +0.007 A ATOM 14 C LIG 1 4.684 0.624 -0.763 0.00 0.00 -0.028 A ATOM 15 N LIG 1 7.829 -1.928 0.211 0.00 0.00 -0.236 NA ATOM 16 C LIG 1 5.606 0.919 0.259 0.00 0.00 +0.033 A ATOM 17 C LIG 1 8.362 -1.215 1.177 0.00 0.00 +0.200 A ENDBRANCH 7 14 ENDBRANCH 1 7 BRANCH 4 18 ATOM 18 C LIG 1 -0.901 -0.627 -1.243 0.00 0.00 +0.142 C BRANCH 18 19 ATOM 19 C LIG 1 -1.796 0.470 -1.845 0.00 0.00 +0.146 C BRANCH 19 20 ATOM 20 O LIG 1 -1.329 0.822 -3.161 0.00 0.00 -0.389 OA ATOM 21 H LIG 1 -0.348 0.782 -3.156 0.00 0.00 +0.210 HD ENDBRANCH 19 20 BRANCH 19 22 ATOM 22 C LIG 1 -3.279 0.061 -1.994 0.00 0.00 +0.117 C BRANCH 22 23 ATOM 23 N LIG 1 -4.012 -0.084 -0.724 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 -5.357 0.504 -0.821 0.00 0.00 +0.120 C ATOM 25 C LIG 1 -6.153 0.306 0.448 0.00 0.00 -0.030 A ATOM 26 C LIG 1 -6.158 -0.976 1.019 0.00 0.00 -0.042 A ATOM 27 C LIG 1 -6.928 -1.238 2.154 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -7.678 -0.213 2.731 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -7.670 1.065 2.170 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -5.350 -2.033 0.321 0.00 0.00 +0.051 C ATOM 31 C LIG 1 -6.915 1.325 1.026 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.011 -1.464 -0.196 0.00 0.00 +0.089 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 4 18 TORSDOF 7