REMARK Name = BDB022834 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.609 -2.713 -0.707 0.00 0.00 +0.014 C ATOM 2 C LIG 1 -0.418 -1.222 -0.360 0.00 0.00 -0.003 C ATOM 3 C LIG 1 -0.835 -0.286 -1.514 0.00 0.00 +0.149 C ATOM 4 C LIG 1 -2.359 -0.081 -1.378 0.00 0.00 +0.152 C ATOM 5 C LIG 1 -2.749 -0.627 0.012 0.00 0.00 +0.069 C ATOM 6 C LIG 1 -1.412 -0.788 0.742 0.00 0.00 +0.021 C ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.757 0.237 0.715 0.00 0.00 +0.049 A ATOM 8 N LIG 1 -5.012 0.444 0.180 0.00 0.00 -0.232 N ATOM 9 C LIG 1 -5.737 1.239 1.013 0.00 0.00 +0.105 A ATOM 10 C LIG 1 -7.071 1.562 0.628 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -7.520 1.083 -0.491 0.00 0.00 -0.217 NA ATOM 12 C LIG 1 -6.691 0.302 -1.258 0.00 0.00 +0.245 A ATOM 13 C LIG 1 -4.957 1.569 2.098 0.00 0.00 +0.033 A ATOM 14 N LIG 1 -5.468 -0.047 -0.991 0.00 0.00 -0.155 NA ATOM 15 C LIG 1 -3.707 0.929 1.914 0.00 0.00 +0.026 A BRANCH 10 16 ATOM 16 N LIG 1 -7.906 2.334 1.381 0.00 0.00 -0.341 N ATOM 17 H LIG 1 -7.764 2.291 2.382 0.00 0.00 +0.144 HD ATOM 18 H LIG 1 -8.877 2.239 1.107 0.00 0.00 +0.144 HD ENDBRANCH 10 16 ENDBRANCH 5 7 BRANCH 3 19 ATOM 19 O LIG 1 -0.484 -0.793 -2.794 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -1.337 -1.074 -3.194 0.00 0.00 +0.210 HD ENDBRANCH 3 19 BRANCH 4 21 ATOM 21 O LIG 1 -3.047 -0.801 -2.411 0.00 0.00 -0.389 OA ATOM 22 H LIG 1 -4.000 -0.695 -2.201 0.00 0.00 +0.210 HD ENDBRANCH 4 21 BRANCH 2 23 ATOM 23 C LIG 1 1.034 -0.969 0.116 0.00 0.00 +0.014 C BRANCH 23 24 ATOM 24 C LIG 1 2.122 -1.183 -0.945 0.00 0.00 +0.036 C BRANCH 24 25 ATOM 25 C LIG 1 3.496 -0.924 -0.373 0.00 0.00 -0.045 A ATOM 26 C LIG 1 4.037 0.373 -0.383 0.00 0.00 +0.032 A ATOM 27 C LIG 1 5.287 0.658 0.151 0.00 0.00 +0.073 A ATOM 28 C LIG 1 6.024 -0.402 0.718 0.00 0.00 +0.001 A ATOM 29 C LIG 1 7.283 -0.109 1.250 0.00 0.00 +0.013 A ATOM 30 C LIG 1 7.760 1.196 1.206 0.00 0.00 +0.044 A ATOM 31 C LIG 1 6.962 2.174 0.639 0.00 0.00 +0.117 A ATOM 32 C LIG 1 5.495 -1.704 0.738 0.00 0.00 +0.010 A ATOM 33 N LIG 1 5.751 1.921 0.116 0.00 0.00 -0.232 NA ATOM 34 C LIG 1 4.237 -1.961 0.198 0.00 0.00 +0.004 A BRANCH 31 35 ATOM 35 N LIG 1 7.409 3.491 0.560 0.00 0.00 -0.343 N ATOM 36 H LIG 1 6.651 4.030 0.147 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 7.671 3.849 1.471 0.00 0.00 +0.144 HD ENDBRANCH 31 35 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 8