REMARK Name = BDB024684 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.678 0.132 1.296 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.573 -0.666 0.945 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.870 -2.107 0.842 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.099 -2.719 2.235 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.820 -2.889 0.058 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.447 -2.652 0.651 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.160 -1.179 0.680 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.824 -0.727 0.579 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.328 -1.464 0.481 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.319 -0.602 0.357 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.845 0.694 0.452 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.534 0.628 0.544 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.540 1.591 0.582 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.863 1.136 0.696 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.204 -0.224 0.798 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.841 -0.258 1.211 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.607 1.940 0.470 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.668 2.009 1.579 0.00 0.00 +0.043 C ATOM 19 C LIG 1 -3.260 3.426 1.706 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -3.307 4.177 0.361 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -3.392 3.227 -0.831 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.165 2.316 -0.912 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.607 3.347 2.303 0.00 0.00 +0.066 C ATOM 24 N LIG 1 -5.673 3.263 2.753 0.00 0.00 -0.196 NA ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.491 2.123 2.242 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.367 1.350 1.821 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.748 -1.012 0.160 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -2.889 -2.174 -0.841 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -2.630 -1.714 -2.276 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -3.549 -0.936 -2.998 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.257 -0.504 -4.294 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -2.039 -0.836 -4.885 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -1.110 -1.595 -4.177 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -1.401 -2.026 -2.881 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.246 -2.823 -0.627 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -5.289 -2.616 -1.225 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -4.240 -3.694 0.408 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -5.157 -4.040 0.434 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8