REMARK Name = BDB020674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.012 -1.230 -0.119 0.00 0.00 +0.001 A ATOM 2 C LIG 1 -2.527 0.044 0.114 0.00 0.00 +0.100 A ATOM 3 N LIG 1 -1.209 -0.005 0.534 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -0.869 -1.360 0.567 0.00 0.00 +0.048 A ATOM 5 C LIG 1 0.443 -1.718 0.964 0.00 0.00 +0.039 A ATOM 6 C LIG 1 1.315 -0.755 1.306 0.00 0.00 +0.043 A ATOM 7 C LIG 1 0.945 0.669 1.321 0.00 0.00 -0.017 A ATOM 8 C LIG 1 1.983 1.615 1.878 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.306 1.036 0.902 0.00 0.00 +0.044 A ATOM 10 C LIG 1 -1.950 -2.117 0.170 0.00 0.00 +0.036 A ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 -6.954 -2.104 -1.532 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -6.732 -1.014 -0.689 0.00 0.00 +0.046 A ATOM 13 C LIG 1 -5.448 -0.722 -0.220 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -4.359 -1.518 -0.592 0.00 0.00 -0.016 A ATOM 15 C LIG 1 -4.587 -2.614 -1.433 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -5.875 -2.905 -1.902 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 -8.535 -3.387 -2.755 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -8.254 -2.275 -1.917 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 1 14 BRANCH 6 19 ATOM 19 C LIG 1 2.685 -1.252 1.626 0.00 0.00 +0.245 C ATOM 20 N LIG 1 3.630 -0.854 0.711 0.00 0.00 -0.307 N ATOM 21 H LIG 1 3.369 -0.158 0.022 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 2.910 -1.964 2.596 0.00 0.00 -0.270 OA BRANCH 20 23 ATOM 23 C LIG 1 5.040 -1.055 0.955 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 C LIG 1 5.754 -1.143 -0.358 0.00 0.00 +0.037 A ATOM 25 C LIG 1 6.153 0.172 -0.958 0.00 0.00 +0.254 A ATOM 26 O LIG 1 5.840 1.244 -0.447 0.00 0.00 -0.268 OA ATOM 27 N LIG 1 6.870 0.123 -2.128 0.00 0.00 -0.326 N ATOM 28 H LIG 1 7.115 1.021 -2.526 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 7.206 -1.034 -2.786 0.00 0.00 +0.016 A ATOM 30 C LIG 1 7.969 -0.899 -4.067 0.00 0.00 +0.063 C ATOM 31 C LIG 1 6.835 -2.212 -2.261 0.00 0.00 +0.024 A ATOM 32 C LIG 1 6.089 -2.278 -1.011 0.00 0.00 -0.039 A ATOM 33 C LIG 1 5.735 -3.668 -0.561 0.00 0.00 +0.044 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 6 19 BRANCH 9 34 ATOM 34 C LIG 1 -0.709 2.521 0.814 0.00 0.00 +0.101 C ATOM 35 C LIG 1 -1.440 2.974 -0.466 0.00 0.00 +0.031 C BRANCH 34 36 ATOM 36 N LIG 1 -1.256 3.045 2.077 0.00 0.00 -0.290 NA ATOM 37 C LIG 1 -2.542 2.482 2.515 0.00 0.00 +0.113 C ATOM 38 C LIG 1 -3.138 3.296 3.675 0.00 0.00 +0.175 C ATOM 39 O LIG 1 -3.454 4.646 3.306 0.00 0.00 -0.377 OA ATOM 40 C LIG 1 -2.643 5.142 2.234 0.00 0.00 +0.175 C ATOM 41 C LIG 1 -1.240 4.516 2.195 0.00 0.00 +0.113 C ENDBRANCH 34 36 ENDBRANCH 9 34 TORSDOF 7