REMARK Name = BDB039447 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.709 0.145 -0.269 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.146 1.411 -0.193 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.704 2.480 -0.043 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.694 1.236 -0.312 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.426 -0.126 -0.369 0.00 0.00 -0.017 A ATOM 6 C LIG 1 1.120 -0.578 -0.481 0.00 0.00 +0.017 A ATOM 7 C LIG 1 0.057 0.354 -0.539 0.00 0.00 +0.020 A ATOM 8 C LIG 1 0.380 1.738 -0.474 0.00 0.00 +0.012 A ATOM 9 C LIG 1 1.700 2.190 -0.359 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.695 -0.901 -0.267 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 9.901 0.456 1.548 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.770 0.348 1.082 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.681 0.188 1.901 0.00 0.00 -0.255 N ATOM 14 H LIG 1 7.867 0.199 2.894 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.382 -0.085 1.537 0.00 0.00 +0.240 C ATOM 16 O LIG 1 5.543 -0.359 2.395 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.106 -0.152 0.027 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.096 0.724 -0.740 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.515 0.290 -0.406 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 -1.349 -0.101 -0.658 0.00 0.00 +0.162 A ATOM 21 N LIG 1 -1.552 -1.427 -0.741 0.00 0.00 -0.210 NA ATOM 22 C LIG 1 -2.847 -1.762 -0.835 0.00 0.00 +0.145 A ATOM 23 C LIG 1 -3.922 -0.884 -0.857 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -5.103 -1.672 -0.958 0.00 0.00 +0.031 A ATOM 25 C LIG 1 -4.721 -2.996 -1.001 0.00 0.00 +0.089 A ATOM 26 C LIG 1 -3.624 0.483 -0.775 0.00 0.00 +0.068 A ATOM 27 N LIG 1 -3.352 -3.036 -0.924 0.00 0.00 -0.324 N ATOM 28 N LIG 1 -2.311 0.849 -0.677 0.00 0.00 -0.230 NA BRANCH 27 29 ATOM 29 C LIG 1 -2.598 -4.302 -0.939 0.00 0.00 +0.140 C ATOM 30 C LIG 1 -1.419 -4.349 -1.909 0.00 0.00 +0.187 C ATOM 31 O LIG 1 -0.518 -4.752 -0.844 0.00 0.00 -0.376 OA ATOM 32 C LIG 1 -1.534 -4.444 0.148 0.00 0.00 +0.187 C ENDBRANCH 27 29 BRANCH 26 33 ATOM 33 C LIG 1 -4.662 1.586 -0.782 0.00 0.00 +0.140 C BRANCH 33 34 ATOM 34 N LIG 1 -5.538 1.583 0.409 0.00 0.00 -0.297 NA ATOM 35 C LIG 1 -4.815 1.979 1.630 0.00 0.00 +0.085 C ATOM 36 C LIG 1 -4.809 3.500 1.643 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -5.983 3.908 0.764 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -6.595 2.599 0.287 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 7 20 TORSDOF 5