REMARK Name = BDB032480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.193 0.093 0.762 0.00 0.00 -0.339 N ATOM 2 H LIG 1 1.804 0.424 -0.118 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 3.367 -0.655 0.541 0.00 0.00 +0.035 A ATOM 4 C LIG 1 4.295 -0.238 -0.468 0.00 0.00 +0.008 A ATOM 5 C LIG 1 5.487 -0.976 -0.678 0.00 0.00 +0.023 A ATOM 6 C LIG 1 6.370 -0.543 -1.694 0.00 0.00 +0.124 A ATOM 7 N LIG 1 6.145 0.522 -2.483 0.00 0.00 -0.240 NA ATOM 8 C LIG 1 5.018 1.219 -2.256 0.00 0.00 +0.113 A ATOM 9 C LIG 1 5.749 -2.100 0.130 0.00 0.00 +0.012 A ATOM 10 C LIG 1 4.879 -2.470 1.148 0.00 0.00 +0.003 A ATOM 11 C LIG 1 4.091 0.892 -1.283 0.00 0.00 +0.030 A ATOM 12 C LIG 1 3.712 -1.742 1.360 0.00 0.00 +0.023 A BRANCH 6 13 ATOM 13 N LIG 1 7.575 -1.205 -1.960 0.00 0.00 -0.343 N ATOM 14 H LIG 1 8.153 -1.226 -1.127 0.00 0.00 +0.144 HD ATOM 15 H LIG 1 8.022 -0.672 -2.703 0.00 0.00 +0.144 HD ENDBRANCH 6 13 ENDBRANCH 1 3 BRANCH 1 16 ATOM 16 C LIG 1 1.145 -0.414 1.637 0.00 0.00 +0.137 C BRANCH 16 21 ATOM 17 C LIG 1 -2.261 1.093 0.803 0.00 0.00 +0.122 A ATOM 18 N LIG 1 -2.183 2.297 1.412 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 -1.062 2.609 2.098 0.00 0.00 +0.113 A ATOM 20 C LIG 1 0.028 1.770 2.216 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -0.029 0.530 1.586 0.00 0.00 -0.026 A ATOM 22 C LIG 1 -1.186 0.203 0.865 0.00 0.00 +0.048 A BRANCH 17 27 ATOM 23 C LIG 1 -6.737 -0.573 -1.691 0.00 0.00 +0.105 C ATOM 24 N LIG 1 -6.276 0.212 -0.550 0.00 0.00 -0.302 NA ATOM 25 C LIG 1 -5.475 -0.598 0.390 0.00 0.00 +0.103 C ATOM 26 C LIG 1 -3.944 -0.589 0.161 0.00 0.00 +0.122 C ATOM 27 N LIG 1 -3.404 0.779 0.072 0.00 0.00 -0.313 N ATOM 28 C LIG 1 -4.402 1.855 -0.050 0.00 0.00 +0.122 C ATOM 29 C LIG 1 -5.529 1.407 -1.007 0.00 0.00 +0.103 C ENDBRANCH 17 27 ENDBRANCH 16 21 ENDBRANCH 1 16 TORSDOF 5