REMARK Name = BDB016419 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.959 -0.562 -0.669 0.00 0.00 +0.004 A ATOM 2 C LIG 1 1.856 -1.361 -0.991 0.00 0.00 +0.061 A ATOM 3 C LIG 1 0.578 -0.956 -0.596 0.00 0.00 +0.044 A ATOM 4 C LIG 1 0.369 0.234 0.130 0.00 0.00 +0.057 A ATOM 5 N LIG 1 -0.974 0.594 0.448 0.00 0.00 -0.296 N ATOM 6 C LIG 1 -1.119 1.971 0.964 0.00 0.00 +0.130 C ATOM 7 C LIG 1 0.021 2.318 1.921 0.00 0.00 +0.124 C ATOM 8 N LIG 1 1.319 2.232 1.234 0.00 0.00 -0.330 N ATOM 9 C LIG 1 2.453 2.796 1.959 0.00 0.00 +0.129 C ATOM 10 C LIG 1 1.486 1.042 0.494 0.00 0.00 +0.052 A ATOM 11 C LIG 1 2.759 0.625 0.061 0.00 0.00 +0.034 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -1.975 -0.293 0.955 0.00 0.00 +0.057 A ATOM 13 C LIG 1 -3.324 -0.191 0.473 0.00 0.00 +0.070 A ATOM 14 N LIG 1 -3.548 0.801 -0.509 0.00 0.00 -0.338 N ATOM 15 H LIG 1 -2.653 0.959 -0.983 0.00 0.00 +0.146 HD ATOM 16 C LIG 1 -4.657 0.621 -1.432 0.00 0.00 +0.076 C ATOM 17 C LIG 1 -5.940 0.973 -0.709 0.00 0.00 +0.118 C ATOM 18 C LIG 1 -6.484 -0.215 0.017 0.00 0.00 +0.219 C ATOM 19 N LIG 1 -5.692 -1.014 0.775 0.00 0.00 -0.284 N ATOM 20 H LIG 1 -6.249 -1.722 1.239 0.00 0.00 +0.155 HD ATOM 21 O LIG 1 -7.693 -0.466 -0.018 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -4.446 1.567 -2.617 0.00 0.00 +0.028 C ATOM 23 C LIG 1 -4.310 -1.017 1.051 0.00 0.00 +0.056 A ATOM 24 C LIG 1 -3.922 -1.978 2.006 0.00 0.00 +0.025 A ATOM 25 C LIG 1 -2.600 -2.108 2.426 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -1.631 -1.262 1.909 0.00 0.00 +0.025 A ENDBRANCH 5 12 BRANCH 1 28 ATOM 27 C LIG 1 5.024 -1.815 -0.349 0.00 0.00 +0.077 C ATOM 28 C LIG 1 4.338 -0.907 -1.068 0.00 0.00 +0.014 C BRANCH 27 30 ATOM 29 C LIG 1 7.458 -1.387 -0.148 0.00 0.00 +0.125 C ATOM 30 N LIG 1 6.331 -2.259 -0.483 0.00 0.00 -0.352 N ATOM 31 H LIG 1 6.455 -3.159 -0.014 0.00 0.00 +0.145 HD ENDBRANCH 27 30 BRANCH 28 32 ATOM 32 C LIG 1 4.933 -0.221 -2.252 0.00 0.00 +0.111 C ATOM 33 N LIG 1 5.957 -0.613 -2.936 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 6.300 -1.492 -2.509 0.00 0.00 +0.186 HD ENDBRANCH 28 32 ENDBRANCH 1 28 BRANCH 2 35 ATOM 35 C LIG 1 1.989 -2.586 -1.726 0.00 0.00 +0.100 C ATOM 36 N LIG 1 2.072 -3.590 -2.303 0.00 0.00 -0.191 NA ENDBRANCH 2 35 TORSDOF 5