REMARK Name = BDB026932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.328 -1.551 0.827 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.077 -2.607 1.895 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.138 -3.969 1.556 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.909 -4.953 2.519 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.630 -4.591 3.834 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.588 -3.246 4.192 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.817 -2.258 3.231 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.301 -0.386 0.922 0.00 0.00 +0.188 C ATOM 9 O LIG 1 -0.617 0.691 1.439 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.526 1.628 -0.167 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.375 0.335 -0.510 0.00 0.00 +0.126 A ATOM 12 N LIG 1 3.164 -0.313 -0.276 0.00 0.00 -0.238 N ATOM 13 C LIG 1 2.065 0.329 0.300 0.00 0.00 +0.077 A ATOM 14 C LIG 1 1.044 -0.601 0.390 0.00 0.00 +0.064 A ATOM 15 C LIG 1 1.619 -1.773 -0.145 0.00 0.00 +0.146 A ATOM 16 C LIG 1 2.211 1.707 0.640 0.00 0.00 +0.029 A ATOM 17 N LIG 1 2.876 -1.608 -0.553 0.00 0.00 -0.174 NA ATOM 18 C LIG 1 3.383 2.327 0.412 0.00 0.00 +0.016 A BRANCH 10 21 ATOM 19 N LIG 1 6.945 1.619 -0.262 0.00 0.00 -0.312 N ATOM 20 H LIG 1 6.871 0.736 0.225 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 5.800 2.365 -0.425 0.00 0.00 +0.246 C ATOM 22 O LIG 1 5.793 3.558 -0.707 0.00 0.00 -0.270 OA BRANCH 19 24 ATOM 23 C LIG 1 9.351 1.231 -0.505 0.00 0.00 +0.024 C ATOM 24 C LIG 1 8.247 2.252 -0.313 0.00 0.00 +0.101 C ENDBRANCH 19 24 ENDBRANCH 10 21 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.720 -1.049 0.953 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -2.730 -0.402 1.746 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.165 -0.341 -0.254 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -4.623 0.166 -0.132 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -4.800 1.201 0.988 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -5.106 0.719 -1.468 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -6.110 0.042 -2.177 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.564 0.525 -3.408 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -6.018 1.693 -3.947 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.016 2.374 -3.251 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.563 1.890 -2.020 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -6.483 2.189 -5.209 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -6.858 2.589 -6.232 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 10