REMARK Name = BDB061450 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.026 1.161 -2.644 0.00 0.00 +0.086 C ATOM 2 C LIG 1 1.569 1.240 -2.364 0.00 0.00 +0.109 A ATOM 3 N LIG 1 0.935 0.489 -1.397 0.00 0.00 -0.309 N ATOM 4 C LIG 1 -0.389 0.835 -1.398 0.00 0.00 +0.161 A ATOM 5 C LIG 1 -0.504 1.790 -2.396 0.00 0.00 +0.108 A ATOM 6 C LIG 1 -1.767 2.334 -2.628 0.00 0.00 +0.033 A ATOM 7 C LIG 1 -2.818 1.865 -1.831 0.00 0.00 +0.030 A ATOM 8 C LIG 1 -2.585 0.890 -0.848 0.00 0.00 +0.074 A ATOM 9 N LIG 1 -1.359 0.355 -0.597 0.00 0.00 -0.227 NA ATOM 10 N LIG 1 0.711 2.031 -2.984 0.00 0.00 -0.231 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -3.669 0.371 0.011 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -4.977 0.200 -0.456 0.00 0.00 +0.053 A ATOM 13 C LIG 1 -5.949 -0.289 0.403 0.00 0.00 +0.119 A ATOM 14 N LIG 1 -5.704 -0.607 1.682 0.00 0.00 -0.218 NA ATOM 15 C LIG 1 -4.452 -0.463 2.139 0.00 0.00 +0.119 A ATOM 16 C LIG 1 -3.420 0.017 1.344 0.00 0.00 +0.053 A BRANCH 13 17 ATOM 17 N LIG 1 -7.262 -0.450 -0.036 0.00 0.00 -0.343 N ATOM 18 H LIG 1 -7.774 -0.847 0.751 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 -7.308 -1.055 -0.848 0.00 0.00 +0.144 HD ENDBRANCH 13 17 BRANCH 15 20 ATOM 20 N LIG 1 -4.203 -0.808 3.474 0.00 0.00 -0.343 N ATOM 21 H LIG 1 -3.862 0.008 3.973 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 -3.482 -1.522 3.508 0.00 0.00 +0.144 HD ENDBRANCH 15 20 ENDBRANCH 8 11 BRANCH 3 23 ATOM 23 C LIG 1 1.530 -0.492 -0.517 0.00 0.00 +0.166 C BRANCH 23 24 ATOM 24 C LIG 1 1.931 0.112 0.824 0.00 0.00 +0.252 C BRANCH 24 25 ATOM 25 O LIG 1 2.548 -0.864 1.671 0.00 0.00 -0.475 OA BRANCH 25 26 ATOM 26 C LIG 1 3.898 -1.040 1.443 0.00 0.00 +0.215 A ATOM 27 N LIG 1 4.487 -0.434 0.389 0.00 0.00 -0.221 NA ATOM 28 C LIG 1 5.809 -0.664 0.223 0.00 0.00 +0.114 A ATOM 29 C LIG 1 6.562 -1.478 1.055 0.00 0.00 +0.020 A ATOM 30 C LIG 1 5.925 -2.095 2.125 0.00 0.00 +0.007 A ATOM 31 C LIG 1 4.566 -1.875 2.325 0.00 0.00 +0.067 A ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 7