REMARK Name = BDB032225 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.926 -1.536 0.472 0.00 0.00 +0.119 A ATOM 2 N LIG 1 -1.472 -0.905 -0.627 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 -0.308 -0.219 -0.537 0.00 0.00 +0.118 A ATOM 4 C LIG 1 0.446 -0.105 0.623 0.00 0.00 -0.012 A ATOM 5 C LIG 1 -0.034 -0.761 1.754 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -1.230 -1.474 1.678 0.00 0.00 +0.044 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -3.144 -2.235 0.456 0.00 0.00 -0.329 N ATOM 8 H LIG 1 -2.988 -3.157 0.852 0.00 0.00 +0.147 HD BRANCH 7 9 ATOM 9 C LIG 1 -3.848 -2.313 -0.824 0.00 0.00 +0.106 C BRANCH 9 14 ATOM 10 C LIG 1 -6.304 1.860 1.573 0.00 0.00 +0.104 C ATOM 11 N LIG 1 -6.533 0.748 0.654 0.00 0.00 -0.305 NA ATOM 12 C LIG 1 -6.126 -0.521 1.276 0.00 0.00 +0.084 C ATOM 13 C LIG 1 -6.081 -1.660 0.258 0.00 0.00 +0.020 C ATOM 14 C LIG 1 -5.072 -1.381 -0.873 0.00 0.00 +0.008 C ATOM 15 C LIG 1 -4.691 0.106 -0.934 0.00 0.00 +0.020 C ATOM 16 C LIG 1 -5.907 0.988 -0.656 0.00 0.00 +0.084 C ENDBRANCH 9 14 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 4 17 ATOM 17 C LIG 1 1.729 0.677 0.637 0.00 0.00 +0.138 C BRANCH 17 18 ATOM 18 N LIG 1 2.772 -0.097 -0.021 0.00 0.00 -0.340 N ATOM 19 H LIG 1 2.721 -1.089 0.200 0.00 0.00 +0.146 HD BRANCH 18 20 ATOM 20 C LIG 1 4.089 0.371 -0.029 0.00 0.00 +0.028 A ATOM 21 C LIG 1 5.113 -0.524 -0.370 0.00 0.00 +0.031 A ATOM 22 C LIG 1 6.461 -0.124 -0.465 0.00 0.00 -0.011 A ATOM 23 C LIG 1 6.810 1.222 -0.242 0.00 0.00 +0.022 A ATOM 24 C LIG 1 8.180 1.568 -0.348 0.00 0.00 +0.124 A ATOM 25 N LIG 1 9.142 0.677 -0.650 0.00 0.00 -0.240 NA ATOM 26 C LIG 1 8.770 -0.600 -0.862 0.00 0.00 +0.113 A ATOM 27 C LIG 1 5.771 2.130 0.060 0.00 0.00 +0.014 A ATOM 28 C LIG 1 7.463 -1.044 -0.784 0.00 0.00 +0.028 A ATOM 29 C LIG 1 4.437 1.710 0.149 0.00 0.00 +0.023 A BRANCH 24 30 ATOM 30 N LIG 1 8.616 2.888 -0.146 0.00 0.00 -0.343 N ATOM 31 H LIG 1 8.163 3.494 -0.822 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 8.355 3.186 0.788 0.00 0.00 +0.144 HD ENDBRANCH 24 30 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 4 17 TORSDOF 7