REMARK Name = BDB048424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.123 1.892 1.075 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.069 2.513 1.455 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -2.304 2.020 1.024 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -2.364 0.890 0.201 0.00 0.00 -0.033 A ATOM 5 C LIG 1 -1.165 0.275 -0.186 0.00 0.00 +0.008 A ATOM 6 C LIG 1 0.070 0.771 0.248 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.252 2.486 1.567 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 2.514 1.865 1.312 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 3.100 2.349 -0.013 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 6.229 3.594 0.100 0.00 0.00 +0.088 C ATOM 11 C LIG 1 5.680 2.271 -0.239 0.00 0.00 +0.126 A ATOM 12 C LIG 1 4.415 1.727 -0.298 0.00 0.00 +0.086 A ATOM 13 N LIG 1 4.499 0.409 -0.686 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 5.793 0.199 -0.855 0.00 0.00 +0.228 A ATOM 15 O LIG 1 6.571 1.298 -0.597 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 6.485 -1.020 -1.266 0.00 0.00 +0.037 A ATOM 17 C LIG 1 7.881 -1.074 -1.394 0.00 0.00 +0.013 A ATOM 18 C LIG 1 8.517 -2.255 -1.789 0.00 0.00 +0.001 A ATOM 19 C LIG 1 7.765 -3.396 -2.060 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.378 -3.359 -1.938 0.00 0.00 +0.001 A ATOM 21 C LIG 1 5.743 -2.178 -1.544 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -3.697 0.343 -0.269 0.00 0.00 +0.120 C BRANCH 22 23 ATOM 23 N LIG 1 -3.939 -1.021 0.245 0.00 0.00 -0.283 NA BRANCH 23 24 ATOM 24 C LIG 1 -4.960 -1.716 -0.592 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 -6.360 -1.125 -0.624 0.00 0.00 +0.055 A ATOM 26 N LIG 1 -6.555 -0.020 -1.389 0.00 0.00 -0.259 NA ATOM 27 C LIG 1 -7.798 0.509 -1.413 0.00 0.00 +0.111 A ATOM 28 C LIG 1 -8.868 -0.006 -0.704 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -8.655 -1.134 0.078 0.00 0.00 +0.003 A ATOM 30 C LIG 1 -7.386 -1.705 0.121 0.00 0.00 +0.024 A ENDBRANCH 24 25 ENDBRANCH 23 24 BRANCH 23 31 ATOM 31 C LIG 1 -4.331 -0.978 1.681 0.00 0.00 +0.206 C BRANCH 31 32 ATOM 32 C LIG 1 -4.178 -2.366 2.293 0.00 0.00 +0.319 C ATOM 33 O LIG 1 -4.844 -2.799 3.220 0.00 0.00 -0.250 OA BRANCH 32 34 ATOM 34 O LIG 1 -3.180 -3.072 1.699 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 -2.828 -2.509 0.969 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 23 31 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 12