REMARK Name = BDB064607 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.143 1.246 -2.121 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.706 0.825 -0.883 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -1.377 0.941 -0.130 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.379 1.494 -3.051 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.640 -0.365 -0.953 0.00 0.00 +0.237 C ATOM 6 N LIG 1 -3.411 0.995 -1.059 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -2.657 1.528 -2.203 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -2.868 3.044 -2.126 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -4.232 3.183 -1.473 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -4.268 2.023 -0.474 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -3.203 -1.162 -1.790 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 O LIG 1 -5.252 3.013 -2.454 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -5.197 3.760 -3.075 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -4.311 -0.881 0.348 0.00 0.00 +0.162 C BRANCH 14 17 ATOM 15 C LIG 1 -6.953 -3.286 -0.877 0.00 0.00 +0.109 C ATOM 16 C LIG 1 -6.381 -2.013 -0.313 0.00 0.00 +0.211 C ATOM 17 N LIG 1 -5.048 -2.091 0.011 0.00 0.00 -0.304 N ATOM 18 H LIG 1 -4.504 -2.797 -0.471 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 -7.061 -1.003 -0.160 0.00 0.00 -0.276 OA ENDBRANCH 14 17 BRANCH 14 20 ATOM 20 C LIG 1 -3.251 -1.248 1.360 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -2.793 -0.251 2.397 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -3.616 -1.439 2.811 0.00 0.00 +0.006 C ENDBRANCH 14 20 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 23 ATOM 23 C LIG 1 0.702 0.879 -0.500 0.00 0.00 +0.163 C BRANCH 23 24 ATOM 24 C LIG 1 0.847 2.127 0.391 0.00 0.00 +0.231 C ATOM 25 O LIG 1 -0.096 2.632 1.000 0.00 0.00 -0.274 OA ATOM 26 N LIG 1 2.102 2.648 0.508 0.00 0.00 -0.328 N ATOM 27 H LIG 1 2.925 2.166 0.166 0.00 0.00 +0.145 HD ATOM 28 H LIG 1 2.235 3.427 1.140 0.00 0.00 +0.145 HD ENDBRANCH 23 24 BRANCH 23 29 ATOM 29 C LIG 1 1.090 -0.392 0.267 0.00 0.00 +0.067 C BRANCH 29 30 ATOM 30 C LIG 1 2.579 -0.551 0.463 0.00 0.00 -0.045 A ATOM 31 C LIG 1 3.155 -0.381 1.727 0.00 0.00 +0.004 A ATOM 32 C LIG 1 4.537 -0.504 1.898 0.00 0.00 +0.009 A ATOM 33 C LIG 1 5.380 -0.802 0.816 0.00 0.00 -0.018 A ATOM 34 C LIG 1 4.791 -0.977 -0.446 0.00 0.00 +0.009 A ATOM 35 C LIG 1 3.409 -0.855 -0.622 0.00 0.00 +0.004 A BRANCH 33 36 ATOM 36 C LIG 1 6.835 -0.932 1.000 0.00 0.00 -0.018 A ATOM 37 C LIG 1 7.735 -0.203 0.204 0.00 0.00 +0.008 A ATOM 38 C LIG 1 9.116 -0.325 0.380 0.00 0.00 +0.001 A ATOM 39 C LIG 1 9.622 -1.180 1.355 0.00 0.00 +0.000 A ATOM 40 C LIG 1 8.749 -1.914 2.154 0.00 0.00 +0.001 A ATOM 41 C LIG 1 7.368 -1.790 1.978 0.00 0.00 +0.008 A ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 2 23 TORSDOF 10