REMARK Name = BDB020443 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.669 1.655 -1.717 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.455 1.226 -1.168 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.121 0.319 -0.180 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.581 0.571 -0.368 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -1.907 1.657 -1.377 0.00 0.00 +0.081 C ATOM 6 C LIG 1 -2.526 2.911 -0.711 0.00 0.00 +0.032 C ATOM 7 C LIG 1 -3.796 3.392 -1.415 0.00 0.00 +0.002 C ATOM 8 C LIG 1 -3.588 3.485 -2.921 0.00 0.00 +0.000 C ATOM 9 C LIG 1 -3.182 2.153 -3.551 0.00 0.00 +0.002 C ATOM 10 C LIG 1 -2.747 1.092 -2.539 0.00 0.00 +0.032 C ATOM 11 C LIG 1 -2.582 -0.005 0.395 0.00 0.00 +0.304 C ATOM 12 N LIG 1 -2.146 -1.008 1.226 0.00 0.00 -0.291 N ATOM 13 H LIG 1 -1.393 -1.552 0.846 0.00 0.00 +0.151 HD ATOM 14 O LIG 1 -3.745 0.374 0.328 0.00 0.00 -0.253 OA ATOM 15 C LIG 1 -0.514 1.931 -1.809 0.00 0.00 +0.066 A ATOM 16 N LIG 1 0.099 2.742 -2.692 0.00 0.00 -0.277 N ATOM 17 H LIG 1 -0.291 3.421 -3.339 0.00 0.00 +0.189 HD ATOM 18 N LIG 1 1.439 2.578 -2.663 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 20 ATOM 19 C LIG 1 4.116 1.634 -1.827 0.00 0.00 +0.249 C ATOM 20 N LIG 1 2.908 1.180 -1.340 0.00 0.00 -0.265 N ATOM 21 H LIG 1 2.907 0.497 -0.600 0.00 0.00 +0.157 HD ATOM 22 O LIG 1 4.320 2.552 -2.611 0.00 0.00 -0.270 OA BRANCH 19 26 ATOM 23 C LIG 1 7.587 -0.345 -0.220 0.00 0.00 +0.034 A ATOM 24 C LIG 1 6.423 -1.075 -0.473 0.00 0.00 +0.024 A ATOM 25 C LIG 1 5.288 -0.448 -1.002 0.00 0.00 +0.015 A ATOM 26 C LIG 1 5.305 0.924 -1.274 0.00 0.00 +0.037 A ATOM 27 C LIG 1 6.475 1.654 -1.046 0.00 0.00 +0.015 A ATOM 28 C LIG 1 7.607 1.023 -0.521 0.00 0.00 +0.024 A BRANCH 23 30 ATOM 29 C LIG 1 8.950 -2.196 0.753 0.00 0.00 +0.241 C ATOM 30 N LIG 1 8.767 -0.907 0.307 0.00 0.00 -0.282 N ATOM 31 H LIG 1 9.548 -0.273 0.415 0.00 0.00 +0.155 HD ATOM 32 O LIG 1 8.105 -3.078 0.852 0.00 0.00 -0.271 OA BRANCH 29 34 ATOM 33 C LIG 1 11.452 -1.969 0.700 0.00 0.00 +0.013 C ATOM 34 C LIG 1 10.334 -2.486 1.225 0.00 0.00 +0.060 C ENDBRANCH 29 34 ENDBRANCH 23 30 ENDBRANCH 19 26 ENDBRANCH 1 20 BRANCH 12 35 ATOM 35 C LIG 1 -3.020 -1.768 2.120 0.00 0.00 +0.119 C BRANCH 35 36 ATOM 36 C LIG 1 -3.756 -0.896 3.127 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -5.081 -0.483 2.931 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -5.732 0.313 3.876 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.066 0.713 5.031 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -3.744 0.328 5.237 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -3.093 -0.466 4.290 0.00 0.00 +0.005 A ENDBRANCH 35 36 BRANCH 35 42 ATOM 42 C LIG 1 -3.849 -2.929 1.460 0.00 0.00 +0.111 C BRANCH 42 43 ATOM 43 N LIG 1 -4.679 -2.621 0.280 0.00 0.00 -0.306 NA ATOM 44 C LIG 1 -3.960 -2.836 -0.976 0.00 0.00 +0.104 C ATOM 45 C LIG 1 -5.910 -3.413 0.280 0.00 0.00 +0.104 C ENDBRANCH 42 43 ENDBRANCH 35 42 ENDBRANCH 12 35 TORSDOF 8