REMARK Name = BDB055072 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.574 2.003 0.165 0.00 0.00 +0.048 A ATOM 2 C LIG 1 1.192 3.255 -0.351 0.00 0.00 +0.032 A ATOM 3 C LIG 1 1.842 4.441 -0.754 0.00 0.00 +0.143 A ATOM 4 N LIG 1 0.996 5.376 -1.183 0.00 0.00 -0.178 NA ATOM 5 N LIG 1 -0.220 4.809 -1.035 0.00 0.00 -0.261 N ATOM 6 C LIG 1 -0.167 3.527 -0.529 0.00 0.00 +0.070 A ATOM 7 C LIG 1 -1.159 2.585 -0.200 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -0.780 1.341 0.343 0.00 0.00 -0.014 A ATOM 9 C LIG 1 0.584 1.070 0.523 0.00 0.00 +0.022 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -1.799 0.350 0.719 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -1.821 -0.253 1.972 0.00 0.00 +0.121 A ATOM 12 N LIG 1 -2.734 -1.171 2.379 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 -3.714 -1.536 1.526 0.00 0.00 +0.121 A ATOM 14 C LIG 1 -3.755 -0.994 0.241 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -2.805 -0.050 -0.160 0.00 0.00 +0.013 A BRANCH 13 16 ATOM 16 N LIG 1 -4.642 -2.488 1.931 0.00 0.00 -0.313 N ATOM 17 C LIG 1 -6.053 -2.318 1.542 0.00 0.00 +0.122 C ATOM 18 C LIG 1 -7.015 -2.531 2.736 0.00 0.00 +0.103 C ATOM 19 N LIG 1 -6.842 -3.787 3.493 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 -7.713 -4.849 2.998 0.00 0.00 +0.105 C ATOM 21 C LIG 1 -5.427 -4.228 3.492 0.00 0.00 +0.103 C ATOM 22 C LIG 1 -4.409 -3.090 3.255 0.00 0.00 +0.122 C ENDBRANCH 13 16 ENDBRANCH 8 10 BRANCH 1 25 ATOM 23 N LIG 1 3.861 1.988 -0.627 0.00 0.00 -0.307 N ATOM 24 H LIG 1 3.507 2.351 -1.505 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 2.990 1.638 0.377 0.00 0.00 +0.245 C ATOM 26 O LIG 1 3.312 1.019 1.383 0.00 0.00 -0.270 OA BRANCH 23 27 ATOM 27 C LIG 1 5.253 1.599 -0.608 0.00 0.00 +0.145 C BRANCH 27 29 ATOM 28 C LIG 1 5.619 -0.868 -1.178 0.00 0.00 -0.036 A ATOM 29 C LIG 1 5.459 0.430 -1.528 0.00 0.00 +0.037 A ATOM 30 C LIG 1 5.515 0.792 -2.982 0.00 0.00 +0.254 A ATOM 31 O LIG 1 5.324 1.940 -3.374 0.00 0.00 -0.268 OA ATOM 32 N LIG 1 5.774 -0.226 -3.862 0.00 0.00 -0.326 N ATOM 33 H LIG 1 5.811 0.043 -4.838 0.00 0.00 +0.169 HD ATOM 34 C LIG 1 5.959 -1.536 -3.501 0.00 0.00 +0.016 A ATOM 35 C LIG 1 6.231 -2.518 -4.598 0.00 0.00 +0.063 C ATOM 36 C LIG 1 5.888 -1.869 -2.205 0.00 0.00 +0.025 A BRANCH 28 37 ATOM 37 C LIG 1 5.560 -1.401 0.239 0.00 0.00 +0.035 C BRANCH 37 39 ATOM 38 C LIG 1 4.167 -2.608 1.964 0.00 0.00 +0.004 C ATOM 39 C LIG 1 4.254 -2.156 0.514 0.00 0.00 +0.001 C ENDBRANCH 37 39 ENDBRANCH 28 37 ENDBRANCH 27 29 ENDBRANCH 23 27 ENDBRANCH 1 25 BRANCH 5 40 ATOM 40 C LIG 1 -1.391 5.600 -1.407 0.00 0.00 +0.102 C ATOM 41 C LIG 1 -2.297 5.900 -0.213 0.00 0.00 +0.032 C ATOM 42 C LIG 1 -2.159 4.985 -2.575 0.00 0.00 +0.032 C ENDBRANCH 5 40 TORSDOF 8