REMARK Name = BDB060567 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.734 -3.534 0.821 0.00 0.00 +0.162 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 -2.107 -6.115 1.863 0.00 0.00 +0.065 C ATOM 3 C LIG 1 -2.780 -4.825 1.585 0.00 0.00 +0.036 A ATOM 4 N LIG 1 -2.152 -3.673 1.151 0.00 0.00 -0.323 N ATOM 5 C LIG 1 -3.126 -2.705 0.967 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -4.314 -3.187 1.287 0.00 0.00 -0.236 NA ATOM 7 C LIG 1 -4.111 -4.481 1.675 0.00 0.00 +0.134 A BRANCH 5 8 ATOM 8 C LIG 1 -2.885 -1.361 0.450 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -2.391 -0.351 1.281 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -2.132 0.922 0.768 0.00 0.00 +0.012 A ATOM 11 C LIG 1 -2.386 1.218 -0.580 0.00 0.00 +0.017 A ATOM 12 C LIG 1 -2.918 0.209 -1.397 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -3.168 -1.067 -0.886 0.00 0.00 +0.012 A BRANCH 11 14 ATOM 14 C LIG 1 -2.104 2.547 -1.111 0.00 0.00 +0.135 A ATOM 15 O LIG 1 -2.798 2.912 -2.235 0.00 0.00 -0.463 OA ATOM 16 C LIG 1 -2.431 4.182 -2.547 0.00 0.00 +0.196 A ATOM 17 C LIG 1 -1.491 4.639 -1.655 0.00 0.00 +0.042 A ATOM 18 C LIG 1 -1.274 3.583 -0.731 0.00 0.00 +0.050 A ENDBRANCH 11 14 ENDBRANCH 5 8 ENDBRANCH 1 4 BRANCH 1 19 ATOM 19 C LIG 1 0.029 -2.682 1.812 0.00 0.00 +0.014 A ATOM 20 C LIG 1 0.865 -1.640 1.366 0.00 0.00 +0.125 A ATOM 21 C LIG 1 1.574 -0.868 2.292 0.00 0.00 +0.046 A ATOM 22 C LIG 1 1.451 -1.117 3.659 0.00 0.00 +0.004 A ATOM 23 C LIG 1 0.636 -2.148 4.109 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -0.064 -2.932 3.192 0.00 0.00 +0.009 A BRANCH 20 25 ATOM 25 O LIG 1 0.962 -1.485 0.010 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 1.264 -0.186 -0.506 0.00 0.00 +0.229 C BRANCH 26 27 ATOM 27 C LIG 1 2.716 -0.151 -0.977 0.00 0.00 +0.041 C BRANCH 27 28 ATOM 28 C LIG 1 3.040 1.043 -1.880 0.00 0.00 +0.007 C BRANCH 28 29 ATOM 29 C LIG 1 2.827 2.443 -1.263 0.00 0.00 -0.003 C ATOM 30 C LIG 1 3.689 2.641 -0.012 0.00 0.00 +0.008 C BRANCH 29 31 ATOM 31 C LIG 1 3.152 3.509 -2.325 0.00 0.00 +0.123 C BRANCH 31 32 ATOM 32 C LIG 1 2.622 4.889 -1.994 0.00 0.00 +0.305 C ATOM 33 O LIG 1 1.930 5.181 -1.032 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 2.991 5.807 -2.922 0.00 0.00 -0.481 OA ATOM 35 H LIG 1 3.552 5.435 -3.632 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 1 19 TORSDOF 12