REMARK Name = BDB027066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.572 -0.015 -0.605 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.475 -0.374 -2.083 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.074 -1.530 -2.609 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.958 -1.836 -3.967 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.231 -1.000 -4.813 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.611 0.137 -4.301 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.726 0.445 -2.945 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -0.510 -0.745 0.134 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -0.826 -1.712 0.237 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -0.267 -0.178 1.467 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 0.910 -0.874 2.172 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 4.781 0.460 0.759 0.00 0.00 -0.039 A ATOM 13 C LIG 1 4.265 0.932 1.972 0.00 0.00 +0.004 A ATOM 14 C LIG 1 3.018 0.498 2.429 0.00 0.00 +0.004 A ATOM 15 C LIG 1 2.264 -0.415 1.682 0.00 0.00 -0.046 A ATOM 16 C LIG 1 2.779 -0.880 0.466 0.00 0.00 +0.004 A ATOM 17 C LIG 1 4.024 -0.446 0.006 0.00 0.00 +0.004 A BRANCH 12 18 ATOM 18 C LIG 1 6.135 0.921 0.274 0.00 0.00 +0.130 C BRANCH 18 22 ATOM 19 C LIG 1 8.339 -1.376 2.343 0.00 0.00 +0.128 C ATOM 20 N LIG 1 7.356 -0.853 1.431 0.00 0.00 -0.318 N ATOM 21 H LIG 1 6.512 -1.396 1.285 0.00 0.00 +0.148 HD ATOM 22 C LIG 1 7.287 0.502 1.173 0.00 0.00 +0.217 C ATOM 23 O LIG 1 8.116 1.308 1.586 0.00 0.00 -0.275 OA ENDBRANCH 18 22 ENDBRANCH 12 18 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 C LIG 1 -2.978 -0.321 -0.015 0.00 0.00 +0.186 C ATOM 25 O LIG 1 -3.170 -1.349 0.643 0.00 0.00 -0.290 OA BRANCH 24 26 ATOM 26 C LIG 1 -4.071 0.631 -0.264 0.00 0.00 +0.044 A ATOM 27 C LIG 1 -5.408 0.572 0.260 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -6.108 1.672 -0.237 0.00 0.00 +0.047 A ATOM 29 C LIG 1 -7.449 1.927 0.076 0.00 0.00 +0.026 A ATOM 30 C LIG 1 -8.099 1.028 0.926 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -7.433 -0.080 1.441 0.00 0.00 +0.001 A ATOM 32 N LIG 1 -5.241 2.375 -1.037 0.00 0.00 -0.360 N ATOM 33 H LIG 1 -5.483 3.219 -1.538 0.00 0.00 +0.165 HD ATOM 34 C LIG 1 -6.092 -0.318 1.117 0.00 0.00 +0.011 A ATOM 35 C LIG 1 -4.015 1.764 -1.059 0.00 0.00 +0.095 A ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9