REMARK Name = BDB000057 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.336 -0.294 -0.555 0.00 0.00 -0.313 N ATOM 2 H LIG 1 0.084 0.171 0.258 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 9 ATOM 3 C LIG 1 -2.609 -4.691 -2.067 0.00 0.00 +0.138 C ATOM 4 N LIG 1 -3.402 -4.144 -0.976 0.00 0.00 -0.274 N ATOM 5 C LIG 1 -3.068 -2.867 -0.429 0.00 0.00 +0.041 A ATOM 6 C LIG 1 -3.970 -2.240 0.438 0.00 0.00 -0.025 A ATOM 7 C LIG 1 -3.675 -0.977 0.967 0.00 0.00 +0.016 A ATOM 8 C LIG 1 -2.475 -0.323 0.648 0.00 0.00 +0.007 A ATOM 9 C LIG 1 -1.547 -0.944 -0.219 0.00 0.00 +0.041 A ATOM 10 C LIG 1 -5.295 -2.885 0.726 0.00 0.00 +0.046 C ATOM 11 C LIG 1 -5.138 -4.388 0.757 0.00 0.00 +0.101 C ATOM 12 C LIG 1 -1.871 -2.208 -0.748 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -4.475 -4.896 -0.501 0.00 0.00 +0.220 C ATOM 14 O LIG 1 -4.834 -5.965 -0.998 0.00 0.00 -0.275 OA BRANCH 8 15 ATOM 15 C LIG 1 -2.243 0.988 1.229 0.00 0.00 +0.021 A ATOM 16 C LIG 1 -1.957 2.133 0.515 0.00 0.00 +0.117 A ATOM 17 N LIG 1 -1.852 3.130 1.438 0.00 0.00 -0.268 N ATOM 18 N LIG 1 -2.052 2.730 2.701 0.00 0.00 -0.179 NA ATOM 19 C LIG 1 -2.300 1.423 2.574 0.00 0.00 +0.143 A BRANCH 17 20 ATOM 20 C LIG 1 -1.514 4.527 1.098 0.00 0.00 +0.107 C ATOM 21 C LIG 1 -2.359 5.360 0.163 0.00 0.00 +0.029 C ATOM 22 C LIG 1 -2.318 5.692 1.625 0.00 0.00 +0.029 C ENDBRANCH 17 20 ENDBRANCH 8 15 ENDBRANCH 1 9 BRANCH 1 23 ATOM 23 C LIG 1 0.540 -0.423 -1.642 0.00 0.00 +0.044 A ATOM 24 C LIG 1 1.887 -0.109 -1.518 0.00 0.00 +0.071 A ATOM 25 C LIG 1 2.633 0.388 -0.363 0.00 0.00 +0.256 C ATOM 26 N LIG 1 3.929 0.553 -0.764 0.00 0.00 -0.222 N ATOM 27 C LIG 1 4.102 0.156 -2.062 0.00 0.00 +0.255 C ATOM 28 O LIG 1 5.123 0.129 -2.723 0.00 0.00 -0.270 OA ATOM 29 O LIG 1 2.133 0.591 0.728 0.00 0.00 -0.269 OA ATOM 30 C LIG 1 2.788 -0.244 -2.559 0.00 0.00 +0.051 A ATOM 31 C LIG 1 2.406 -0.689 -3.807 0.00 0.00 +0.014 A ATOM 32 C LIG 1 1.056 -0.991 -3.983 0.00 0.00 +0.003 A ATOM 33 C LIG 1 0.138 -0.855 -2.916 0.00 0.00 +0.024 A BRANCH 26 34 ATOM 34 C LIG 1 5.042 0.890 0.111 0.00 0.00 +0.171 C ATOM 35 C LIG 1 5.390 -0.328 0.974 0.00 0.00 +0.240 C ATOM 36 O LIG 1 5.098 -1.484 0.674 0.00 0.00 -0.273 OA ATOM 37 N LIG 1 6.124 -0.063 2.108 0.00 0.00 -0.255 N ATOM 38 H LIG 1 6.368 -0.866 2.673 0.00 0.00 +0.158 HD ATOM 39 C LIG 1 6.433 1.162 2.644 0.00 0.00 +0.219 C ATOM 40 O LIG 1 7.040 1.253 3.707 0.00 0.00 -0.275 OA ATOM 41 C LIG 1 6.044 2.376 1.831 0.00 0.00 +0.098 C ATOM 42 C LIG 1 4.799 2.108 0.998 0.00 0.00 +0.041 C ENDBRANCH 26 34 ENDBRANCH 1 23 TORSDOF 5