REMARK Name = BDB027103 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.060 -0.134 0.002 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.287 -1.381 0.803 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.143 -1.545 2.130 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.194 -2.692 2.851 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.971 -3.686 2.259 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.414 -3.533 0.948 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.078 -2.388 0.224 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 0.636 1.084 0.491 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 0.306 1.285 1.437 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 2.094 0.989 0.449 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 2.722 2.333 0.839 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 7.034 2.130 0.677 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.358 1.784 1.852 0.00 0.00 +0.019 A ATOM 14 C LIG 1 4.964 1.856 1.906 0.00 0.00 +0.005 A ATOM 15 C LIG 1 4.231 2.278 0.788 0.00 0.00 -0.046 A ATOM 16 C LIG 1 4.913 2.619 -0.387 0.00 0.00 +0.005 A ATOM 17 C LIG 1 6.308 2.548 -0.442 0.00 0.00 +0.019 A BRANCH 12 19 ATOM 18 N LIG 1 9.621 1.986 0.571 0.00 0.00 -0.191 NA ATOM 19 C LIG 1 8.464 2.052 0.620 0.00 0.00 +0.099 C ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -1.597 0.126 0.026 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -2.097 0.868 0.879 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 -2.450 -0.557 -0.961 0.00 0.00 +0.044 A ATOM 23 C LIG 1 -3.862 -0.368 -1.158 0.00 0.00 +0.010 A ATOM 24 C LIG 1 -4.264 -1.223 -2.186 0.00 0.00 +0.048 A ATOM 25 C LIG 1 -5.587 -1.300 -2.639 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -6.536 -0.480 -2.013 0.00 0.00 +0.061 A ATOM 27 C LIG 1 -6.166 0.406 -0.998 0.00 0.00 +0.016 A ATOM 28 N LIG 1 -3.148 -1.904 -2.607 0.00 0.00 -0.360 N ATOM 29 H LIG 1 -3.144 -2.594 -3.347 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 -4.836 0.463 -0.562 0.00 0.00 +0.011 A ATOM 31 C LIG 1 -2.054 -1.515 -1.879 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 C LIG 1 -7.938 -0.562 -2.484 0.00 0.00 +0.337 C ATOM 33 O LIG 1 -8.241 -0.695 -3.656 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 -8.837 -0.530 -1.477 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 -8.447 -0.592 -0.585 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 10