REMARK Name = BDB055275 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.386 1.216 1.363 0.00 0.00 +0.000 N ATOM 2 C LIG 1 -1.490 1.945 1.013 0.00 0.00 +0.000 A ATOM 3 O LIG 1 -2.269 2.381 1.903 0.00 0.00 +0.000 OA ATOM 4 C LIG 1 -1.781 2.190 -0.331 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.936 1.691 -1.316 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.204 0.977 -0.953 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.488 0.760 0.405 0.00 0.00 +0.000 A ENDROOT BRANCH 7 8 ATOM 8 C LIG 1 1.737 0.057 0.767 0.00 0.00 +0.000 C ATOM 9 N LIG 1 2.520 0.487 1.891 0.00 0.00 +0.000 N ATOM 10 H LIG 1 2.249 1.356 2.404 0.00 0.00 +0.000 HD ATOM 11 O LIG 1 2.130 -0.911 0.060 0.00 0.00 +0.000 OA BRANCH 9 12 ATOM 12 C LIG 1 3.688 -0.255 2.361 0.00 0.00 +0.000 C BRANCH 12 13 ATOM 13 C LIG 1 4.820 -0.132 1.377 0.00 0.00 +0.000 A ATOM 14 C LIG 1 5.326 -1.266 0.724 0.00 0.00 +0.000 A ATOM 15 C LIG 1 6.372 -1.143 -0.195 0.00 0.00 +0.000 A ATOM 16 C LIG 1 6.934 0.115 -0.475 0.00 0.00 +0.000 A ATOM 17 C LIG 1 6.427 1.248 0.187 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.381 1.124 1.106 0.00 0.00 +0.000 A BRANCH 16 19 ATOM 19 C LIG 1 8.043 0.246 -1.455 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.033 -0.498 -2.651 0.00 0.00 +0.000 A ATOM 21 C LIG 1 9.078 -0.372 -3.571 0.00 0.00 +0.000 A ATOM 22 C LIG 1 10.143 0.493 -3.310 0.00 0.00 +0.000 A ATOM 23 C LIG 1 10.165 1.237 -2.128 0.00 0.00 +0.000 A ATOM 24 C LIG 1 9.122 1.116 -1.204 0.00 0.00 +0.000 A ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 7 8 BRANCH 1 25 ATOM 25 O LIG 1 -0.224 0.883 2.698 0.00 0.00 +0.000 OA BRANCH 25 26 ATOM 26 C LIG 1 -0.427 -0.450 3.170 0.00 0.00 +0.000 C BRANCH 26 30 ATOM 27 C LIG 1 -4.295 -1.554 1.639 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -4.191 -0.831 2.837 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -2.934 -0.527 3.369 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -1.769 -0.950 2.714 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -1.875 -1.700 1.532 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.129 -2.006 1.001 0.00 0.00 +0.000 A BRANCH 27 39 ATOM 33 C LIG 1 -7.375 -1.562 -2.025 0.00 0.00 +0.000 C ATOM 34 C LIG 1 -6.305 -1.040 -1.038 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -6.900 -0.121 0.138 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -8.395 0.233 -0.029 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -6.143 1.220 0.348 0.00 0.00 +0.000 C ATOM 38 O LIG 1 -6.782 -0.875 1.319 0.00 0.00 +0.000 OA ATOM 39 B LIG 1 -5.703 -1.784 0.972 0.00 0.00 +0.000 B ATOM 40 O LIG 1 -5.747 -2.178 -0.424 0.00 0.00 +0.000 OA ATOM 41 C LIG 1 -5.198 -0.359 -1.880 0.00 0.00 +0.000 C ENDBRANCH 27 39 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 8