REMARK Name = BDB052338 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.721 -0.069 -1.697 0.00 0.00 -0.265 N ATOM 2 N LIG 1 -2.381 -0.197 -1.778 0.00 0.00 -0.170 NA ATOM 3 C LIG 1 -1.929 0.000 -0.530 0.00 0.00 +0.100 A ATOM 4 C LIG 1 -3.012 0.287 0.353 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -4.142 0.241 -0.436 0.00 0.00 +0.118 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -3.039 0.652 1.751 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -3.762 -0.126 2.676 0.00 0.00 +0.026 A ATOM 8 C LIG 1 -3.724 0.289 4.004 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -4.476 -0.581 4.744 0.00 0.00 -0.346 N ATOM 10 H LIG 1 -4.609 -0.494 5.741 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -4.991 -1.559 3.933 0.00 0.00 +0.085 A ATOM 12 N LIG 1 -3.074 1.350 4.516 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -2.397 2.057 3.582 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -4.563 -1.306 2.646 0.00 0.00 +0.029 A ATOM 15 C LIG 1 -2.342 1.765 2.227 0.00 0.00 +0.029 A ENDBRANCH 4 6 BRANCH 3 16 ATOM 16 C LIG 1 -0.498 -0.082 -0.234 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -0.034 -0.664 0.951 0.00 0.00 +0.012 A ATOM 18 C LIG 1 1.338 -0.724 1.224 0.00 0.00 +0.024 A ATOM 19 C LIG 1 2.274 -0.212 0.315 0.00 0.00 +0.035 A ATOM 20 C LIG 1 1.813 0.362 -0.869 0.00 0.00 +0.024 A ATOM 21 C LIG 1 0.440 0.420 -1.144 0.00 0.00 +0.012 A BRANCH 19 22 ATOM 22 N LIG 1 3.634 -0.301 0.676 0.00 0.00 -0.269 N ATOM 23 H LIG 1 3.828 -0.772 1.545 0.00 0.00 +0.156 HD ATOM 24 C LIG 1 4.741 0.020 -0.100 0.00 0.00 +0.308 C ATOM 25 N LIG 1 5.900 -0.104 0.654 0.00 0.00 -0.269 N ATOM 26 H LIG 1 5.774 -0.157 1.653 0.00 0.00 +0.156 HD ATOM 27 O LIG 1 4.701 0.363 -1.274 0.00 0.00 -0.252 OA BRANCH 25 28 ATOM 28 C LIG 1 7.233 0.029 0.211 0.00 0.00 +0.035 A ATOM 29 C LIG 1 8.237 0.024 1.190 0.00 0.00 +0.023 A ATOM 30 C LIG 1 9.583 0.141 0.834 0.00 0.00 +0.002 A ATOM 31 C LIG 1 9.940 0.259 -0.506 0.00 0.00 +0.000 A ATOM 32 C LIG 1 8.951 0.257 -1.487 0.00 0.00 +0.002 A ATOM 33 C LIG 1 7.603 0.140 -1.130 0.00 0.00 +0.023 A ENDBRANCH 25 28 ENDBRANCH 19 22 ENDBRANCH 3 16 BRANCH 1 35 ATOM 34 C LIG 1 -4.150 0.854 -3.937 0.00 0.00 +0.036 C ATOM 35 C LIG 1 -4.530 -0.238 -2.919 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -6.045 -0.133 -2.645 0.00 0.00 +0.036 C ATOM 37 C LIG 1 -4.257 -1.628 -3.529 0.00 0.00 +0.036 C ENDBRANCH 1 35 TORSDOF 5