REMARK Name = BDB016690 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.746 2.315 -0.671 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.999 1.401 -1.710 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.013 0.464 -2.040 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.774 0.404 -1.414 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.089 -0.674 -2.058 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.867 -1.262 -2.980 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.513 1.323 -0.380 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.000 -0.547 -2.959 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.743 -0.809 -3.597 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.496 2.264 -0.032 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.741 -0.778 1.153 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.994 0.402 1.017 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.612 1.552 0.548 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.132 2.953 0.291 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.785 3.342 -0.283 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.374 3.686 -0.163 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.407 2.766 -0.178 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.349 3.010 -0.441 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.428 4.868 -0.459 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.111 3.610 1.173 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.979 1.505 0.242 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.746 0.366 0.366 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -7.110 -0.790 0.827 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -5.711 -3.083 1.749 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -5.023 -1.847 1.617 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.235 -1.155 -1.798 0.00 0.00 +0.031 C ATOM 27 C LIG 1 2.289 -0.422 -1.401 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 3.631 -0.976 -1.167 0.00 0.00 -0.025 A ATOM 29 C LIG 1 4.388 -0.485 -0.095 0.00 0.00 +0.013 A ATOM 30 C LIG 1 5.684 -0.965 0.159 0.00 0.00 -0.030 A ATOM 31 C LIG 1 6.487 -0.389 1.307 0.00 0.00 +0.119 C ATOM 32 N LIG 1 7.634 -1.225 1.705 0.00 0.00 -0.301 NA ATOM 33 C LIG 1 8.430 -1.579 0.522 0.00 0.00 +0.089 C ATOM 34 C LIG 1 7.619 -2.473 -0.426 0.00 0.00 +0.051 C ATOM 35 C LIG 1 8.451 -0.526 2.694 0.00 0.00 +0.105 C ATOM 36 C LIG 1 6.241 -1.926 -0.701 0.00 0.00 -0.042 A ATOM 37 C LIG 1 5.490 -2.414 -1.776 0.00 0.00 +0.004 A ATOM 38 C LIG 1 4.199 -1.936 -2.011 0.00 0.00 +0.008 A ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 4