REMARK Name = BDB044833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.268 -2.097 -1.077 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -4.054 -1.823 -2.440 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.810 -1.320 -2.840 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.764 -1.075 -1.957 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.710 -0.557 -2.773 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -1.064 -0.530 -4.066 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.961 -1.385 -0.598 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.327 -0.979 -4.071 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.810 -1.037 -4.960 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.203 -1.891 -0.184 0.00 0.00 +0.005 A ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 -4.805 3.013 0.727 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -5.426 1.760 1.274 0.00 0.00 -0.050 A ATOM 13 C LIG 1 -5.575 0.633 0.447 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -6.165 -0.513 0.959 0.00 0.00 -0.010 A ATOM 15 C LIG 1 -6.470 -1.865 0.379 0.00 0.00 +0.081 C ATOM 16 C LIG 1 -5.590 -2.638 -0.584 0.00 0.00 +0.040 C ATOM 17 C LIG 1 -7.168 -2.598 1.503 0.00 0.00 +0.228 C ATOM 18 N LIG 1 -7.208 -1.738 2.585 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -7.630 -1.988 3.466 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -7.603 -3.735 1.440 0.00 0.00 -0.274 OA ATOM 21 C LIG 1 -6.900 -2.033 -1.050 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -6.627 -0.504 2.285 0.00 0.00 +0.038 A ATOM 23 C LIG 1 -6.516 0.586 3.121 0.00 0.00 +0.024 A ATOM 24 C LIG 1 -5.908 1.730 2.601 0.00 0.00 +0.005 A ENDBRANCH 1 16 BRANCH 5 25 ATOM 25 C LIG 1 0.594 -0.128 -2.357 0.00 0.00 +0.031 C ATOM 26 C LIG 1 0.913 0.436 -1.181 0.00 0.00 +0.010 C BRANCH 26 27 ATOM 27 C LIG 1 2.271 0.871 -0.822 0.00 0.00 -0.025 A ATOM 28 C LIG 1 3.118 1.508 -1.736 0.00 0.00 +0.008 A ATOM 29 C LIG 1 4.393 1.934 -1.350 0.00 0.00 +0.005 A ATOM 30 C LIG 1 4.845 1.735 -0.039 0.00 0.00 -0.033 A ATOM 31 C LIG 1 3.985 1.121 0.882 0.00 0.00 +0.005 A ATOM 32 C LIG 1 2.711 0.696 0.495 0.00 0.00 +0.008 A BRANCH 30 33 ATOM 33 C LIG 1 6.218 2.218 0.383 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 7.003 1.199 1.096 0.00 0.00 -0.294 NA ATOM 35 C LIG 1 8.167 1.821 1.763 0.00 0.00 +0.113 C ATOM 36 C LIG 1 9.279 0.800 2.040 0.00 0.00 +0.175 C ATOM 37 O LIG 1 9.836 0.257 0.835 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 8.895 0.203 -0.246 0.00 0.00 +0.175 C ATOM 39 C LIG 1 7.436 0.086 0.222 0.00 0.00 +0.113 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 5 25 TORSDOF 5