REMARK Name = BDB014190 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 1.127 1.618 1.052 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 0.502 0.603 0.757 0.00 0.00 +0.247 C ATOM 3 N LIG 1 -0.883 0.555 0.667 0.00 0.00 -0.295 N ATOM 4 C LIG 1 -1.641 1.752 1.044 0.00 0.00 +0.127 C ATOM 5 C LIG 1 -3.127 1.453 1.293 0.00 0.00 +0.125 C ATOM 6 N LIG 1 -3.744 0.854 0.095 0.00 0.00 -0.312 N ATOM 7 C LIG 1 -2.902 -0.053 -0.704 0.00 0.00 +0.125 C ATOM 8 C LIG 1 -1.657 -0.539 0.067 0.00 0.00 +0.127 C ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -5.114 0.615 0.169 0.00 0.00 +0.124 A ATOM 10 N LIG 1 -5.739 0.786 1.361 0.00 0.00 -0.213 NA ATOM 11 C LIG 1 -7.053 0.559 1.358 0.00 0.00 +0.160 A ATOM 12 C LIG 1 -7.809 0.182 0.258 0.00 0.00 +0.086 A ATOM 13 N LIG 1 -9.133 0.045 0.652 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -9.925 -0.211 0.085 0.00 0.00 +0.170 HD ATOM 15 C LIG 1 -9.210 0.340 2.021 0.00 0.00 +0.326 A ATOM 16 O LIG 1 -10.216 0.323 2.706 0.00 0.00 -0.247 OA ATOM 17 C LIG 1 -7.214 0.018 -0.960 0.00 0.00 +0.033 A ATOM 18 N LIG 1 -7.915 0.654 2.440 0.00 0.00 -0.291 N ATOM 19 H LIG 1 -7.645 0.915 3.372 0.00 0.00 +0.172 HD ATOM 20 C LIG 1 -5.834 0.247 -0.996 0.00 0.00 +0.046 A ENDBRANCH 6 9 BRANCH 2 21 ATOM 21 C LIG 1 1.274 -0.630 0.495 0.00 0.00 +0.037 A ATOM 22 C LIG 1 2.254 -0.614 -0.503 0.00 0.00 +0.017 A ATOM 23 C LIG 1 3.028 -1.758 -0.749 0.00 0.00 -0.041 A ATOM 24 C LIG 1 2.779 -2.916 0.006 0.00 0.00 +0.004 A ATOM 25 C LIG 1 1.812 -2.922 1.014 0.00 0.00 +0.001 A ATOM 26 C LIG 1 1.064 -1.775 1.269 0.00 0.00 +0.013 A BRANCH 23 27 ATOM 27 C LIG 1 4.074 -1.787 -1.842 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 4.876 -0.500 -1.982 0.00 0.00 +0.074 A ATOM 29 C LIG 1 5.915 -0.157 -0.978 0.00 0.00 +0.011 A ATOM 30 C LIG 1 6.613 1.035 -1.167 0.00 0.00 +0.050 A ATOM 31 C LIG 1 7.608 1.431 -0.265 0.00 0.00 +0.014 A ATOM 32 C LIG 1 7.906 0.628 0.834 0.00 0.00 +0.001 A ATOM 33 C LIG 1 7.212 -0.565 1.030 0.00 0.00 +0.001 A ATOM 34 C LIG 1 6.294 1.877 -2.331 0.00 0.00 +0.272 A ATOM 35 O LIG 1 6.889 2.927 -2.545 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 5.301 1.413 -3.159 0.00 0.00 -0.242 N ATOM 37 H LIG 1 5.065 1.984 -3.964 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 6.219 -0.960 0.128 0.00 0.00 +0.010 A ATOM 39 N LIG 1 4.603 0.257 -3.005 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 2 21 TORSDOF 4