REMARK Name = BDB026948 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.995 -0.193 -0.008 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.170 -1.641 0.432 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.554 -2.616 -0.504 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.730 -3.945 -0.115 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.531 -4.316 1.213 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.159 -3.359 2.155 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.982 -2.029 1.769 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.390 0.358 0.447 0.00 0.00 +0.186 C ATOM 9 O LIG 1 0.504 0.960 1.521 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 5.643 1.233 -0.354 0.00 0.00 +0.039 A ATOM 11 C LIG 1 5.070 0.415 -1.341 0.00 0.00 +0.039 A ATOM 12 C LIG 1 3.701 0.124 -1.232 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.900 0.612 -0.197 0.00 0.00 +0.010 A ATOM 14 C LIG 1 1.567 0.113 -0.403 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.614 -0.651 -1.557 0.00 0.00 +0.095 A ATOM 16 C LIG 1 3.500 1.444 0.773 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.893 -0.632 -2.045 0.00 0.00 -0.360 N ATOM 18 H LIG 1 3.205 -1.108 -2.881 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 4.863 1.752 0.681 0.00 0.00 +0.014 A BRANCH 10 22 ATOM 20 N LIG 1 7.935 0.637 -0.920 0.00 0.00 -0.312 N ATOM 21 H LIG 1 7.585 -0.301 -1.053 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 7.088 1.593 -0.395 0.00 0.00 +0.244 C ATOM 23 O LIG 1 7.470 2.669 0.050 0.00 0.00 -0.270 OA BRANCH 20 25 ATOM 24 C LIG 1 9.986 0.452 0.420 0.00 0.00 +0.024 C ATOM 25 C LIG 1 9.371 0.825 -0.917 0.00 0.00 +0.101 C ENDBRANCH 20 25 ENDBRANCH 10 22 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.057 0.705 0.514 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -1.964 0.746 1.530 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.411 0.316 0.118 0.00 0.00 +0.089 C BRANCH 28 29 ATOM 29 C LIG 1 -4.463 1.377 0.523 0.00 0.00 +0.030 C ATOM 30 C LIG 1 -4.567 1.557 2.043 0.00 0.00 +0.014 C BRANCH 29 31 ATOM 31 C LIG 1 -5.824 1.038 -0.076 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -6.529 -0.114 0.304 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.772 -0.408 -0.264 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -8.327 0.445 -1.221 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -7.633 1.595 -1.607 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -6.390 1.888 -1.038 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -9.600 0.142 -1.805 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -10.630 -0.106 -2.279 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10