REMARK Name = BDB065090 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.504 2.486 -0.559 0.00 0.00 +0.162 A ATOM 2 C LIG 1 3.545 1.579 -0.307 0.00 0.00 +0.164 A ATOM 3 C LIG 1 3.239 0.306 0.186 0.00 0.00 +0.078 A ATOM 4 C LIG 1 1.931 -0.103 0.414 0.00 0.00 +0.081 A ATOM 5 C LIG 1 0.884 0.784 0.134 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -0.417 0.293 0.370 0.00 0.00 +0.131 A ATOM 7 N LIG 1 -0.632 -0.929 0.878 0.00 0.00 -0.203 NA ATOM 8 C LIG 1 0.450 -1.683 1.119 0.00 0.00 +0.234 A ATOM 9 N LIG 1 1.725 -1.330 0.897 0.00 0.00 -0.218 NA ATOM 10 C LIG 1 1.185 2.084 -0.343 0.00 0.00 +0.062 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 1.869 4.723 -1.115 0.00 0.00 +0.277 C ATOM 12 O LIG 1 2.873 3.722 -1.025 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 8 13 ATOM 13 C LIG 1 0.220 -3.001 1.650 0.00 0.00 +0.140 C ATOM 14 N LIG 1 0.034 -4.069 2.075 0.00 0.00 -0.188 NA ENDBRANCH 8 13 BRANCH 6 15 ATOM 15 N LIG 1 -1.526 1.118 0.096 0.00 0.00 -0.326 N ATOM 16 H LIG 1 -1.462 1.468 -0.856 0.00 0.00 +0.148 HD BRANCH 15 17 ATOM 17 C LIG 1 -2.864 0.578 0.392 0.00 0.00 +0.074 C ATOM 18 C LIG 1 -3.309 -0.442 -0.672 0.00 0.00 +0.037 C ATOM 19 C LIG 1 -4.801 -0.343 -1.011 0.00 0.00 +0.086 C ATOM 20 N LIG 1 -5.567 -0.065 0.199 0.00 0.00 -0.299 NA ATOM 21 C LIG 1 -5.265 1.260 0.759 0.00 0.00 +0.086 C ATOM 22 C LIG 1 -3.847 1.749 0.447 0.00 0.00 +0.037 C BRANCH 20 23 ATOM 23 C LIG 1 -7.016 -0.326 0.126 0.00 0.00 +0.057 C ATOM 24 C LIG 1 -7.292 -1.842 0.203 0.00 0.00 +0.019 C ATOM 25 C LIG 1 -8.791 -2.138 0.212 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -9.497 -1.511 -0.986 0.00 0.00 +0.000 C ATOM 27 C LIG 1 -9.225 -0.013 -1.079 0.00 0.00 +0.002 C ATOM 28 C LIG 1 -7.726 0.288 -1.097 0.00 0.00 +0.019 C ENDBRANCH 20 23 ENDBRANCH 15 17 ENDBRANCH 6 15 BRANCH 2 29 ATOM 29 O LIG 1 4.814 2.042 -0.544 0.00 0.00 -0.488 OA BRANCH 29 30 ATOM 30 C LIG 1 5.910 1.125 -0.513 0.00 0.00 +0.230 C BRANCH 30 31 ATOM 31 C LIG 1 6.518 1.074 0.884 0.00 0.00 +0.056 C BRANCH 31 32 ATOM 32 C LIG 1 7.775 0.206 0.992 0.00 0.00 +0.087 C BRANCH 32 33 ATOM 33 N LIG 1 7.475 -1.207 0.701 0.00 0.00 -0.302 NA ATOM 34 C LIG 1 7.943 -1.603 -0.641 0.00 0.00 +0.084 C ATOM 35 C LIG 1 9.407 -1.999 -0.490 0.00 0.00 +0.017 C ATOM 36 C LIG 1 9.608 -2.227 1.000 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.214 -2.118 1.593 0.00 0.00 +0.084 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 10