REMARK Name = BDB016740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.426 -2.498 -0.332 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.283 -2.168 1.029 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.010 -1.850 1.516 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.867 -1.871 0.728 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.200 -1.496 1.608 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -0.267 -1.232 2.841 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.000 -2.211 -0.630 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.583 -1.467 2.755 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.147 -1.338 3.587 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.273 -2.525 -1.134 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.165 1.826 0.048 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.893 0.565 -0.503 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.867 -0.423 -0.462 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.921 -1.844 -0.946 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.784 -2.846 -0.897 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -7.323 -2.294 -0.604 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.948 -1.233 0.028 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.901 -1.278 0.351 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -7.791 -3.394 -0.846 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.249 -2.269 -2.219 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -7.108 -0.121 0.116 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.412 1.107 0.664 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.419 2.090 0.628 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.322 4.003 0.521 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.127 2.714 -0.046 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.626 -1.373 1.305 0.00 0.00 +0.003 A ATOM 27 C LIG 1 2.281 -2.325 0.514 0.00 0.00 +0.010 A ATOM 28 C LIG 1 3.643 -2.195 0.227 0.00 0.00 +0.004 A ATOM 29 C LIG 1 4.378 -1.114 0.731 0.00 0.00 -0.046 A ATOM 30 C LIG 1 3.724 -0.166 1.527 0.00 0.00 +0.004 A ATOM 31 C LIG 1 2.363 -0.297 1.815 0.00 0.00 +0.010 A BRANCH 29 32 ATOM 32 C LIG 1 5.849 -0.973 0.415 0.00 0.00 +0.050 C BRANCH 32 33 ATOM 33 C LIG 1 6.139 -0.038 -0.776 0.00 0.00 +0.089 C BRANCH 33 34 ATOM 34 N LIG 1 5.975 1.400 -0.492 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.042 2.215 -1.725 0.00 0.00 +0.112 C ATOM 36 C LIG 1 7.415 2.864 -1.956 0.00 0.00 +0.175 C ATOM 37 O LIG 1 7.816 3.735 -0.889 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 7.219 3.394 0.369 0.00 0.00 +0.175 C ATOM 39 C LIG 1 6.955 1.887 0.505 0.00 0.00 +0.112 C ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 6