REMARK Name = BDB060925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.315 -0.468 -0.400 0.00 0.00 +0.082 A ATOM 2 C LIG 1 -1.209 0.311 0.330 0.00 0.00 +0.126 A ATOM 3 N LIG 1 -2.442 -0.313 0.136 0.00 0.00 -0.288 N ATOM 4 C LIG 1 -2.227 -1.392 -0.711 0.00 0.00 +0.140 A ATOM 5 C LIG 1 -3.350 -2.186 -1.077 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -4.588 -1.904 -0.607 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -4.763 -0.762 0.301 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -3.707 -0.004 0.644 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.963 -1.506 -1.039 0.00 0.00 -0.231 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.721 -2.698 -0.967 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -6.870 -2.255 -1.584 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -7.350 -0.952 -2.081 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -7.714 -3.308 -1.756 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -7.131 -4.459 -1.262 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -5.934 -4.090 -0.788 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -5.041 -5.098 -0.170 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 N LIG 1 -1.104 1.423 1.120 0.00 0.00 -0.326 N ATOM 18 H LIG 1 -1.956 1.891 1.418 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 0.056 2.315 1.119 0.00 0.00 +0.072 C ATOM 20 C LIG 1 0.044 3.229 -0.114 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -1.051 4.293 -0.056 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -0.969 5.114 1.226 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -1.006 4.226 2.465 0.00 0.00 +0.002 C ATOM 24 C LIG 1 0.068 3.139 2.419 0.00 0.00 +0.022 C ENDBRANCH 17 19 ENDBRANCH 2 17 BRANCH 1 25 ATOM 25 C LIG 1 1.163 -0.369 -0.572 0.00 0.00 +0.063 C BRANCH 25 26 ATOM 26 C LIG 1 1.917 -1.011 0.595 0.00 0.00 +0.041 C BRANCH 26 30 ATOM 27 C LIG 1 6.189 -0.481 0.172 0.00 0.00 +0.121 A ATOM 28 C LIG 1 5.445 0.373 0.988 0.00 0.00 +0.046 A ATOM 29 C LIG 1 4.066 0.203 1.133 0.00 0.00 +0.007 A ATOM 30 C LIG 1 3.410 -0.833 0.461 0.00 0.00 -0.047 A ATOM 31 C LIG 1 4.156 -1.687 -0.360 0.00 0.00 +0.007 A ATOM 32 C LIG 1 5.537 -1.514 -0.503 0.00 0.00 +0.046 A BRANCH 27 33 ATOM 33 O LIG 1 7.526 -0.201 0.119 0.00 0.00 -0.492 OA BRANCH 33 35 ATOM 34 C LIG 1 9.770 -0.564 -0.595 0.00 0.00 +0.048 C ATOM 35 C LIG 1 8.335 -1.051 -0.692 0.00 0.00 +0.225 C ENDBRANCH 33 35 ENDBRANCH 27 33 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 8