REMARK Name = BDB056116 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.248 1.528 -4.209 0.00 0.00 +0.054 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 1.584 1.072 -0.963 0.00 0.00 +0.035 A ATOM 3 C LIG 1 0.353 1.704 -0.751 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -0.551 1.880 -1.803 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.247 1.411 -3.085 0.00 0.00 -0.046 A ATOM 6 C LIG 1 0.989 0.789 -3.297 0.00 0.00 +0.005 A ATOM 7 C LIG 1 1.896 0.621 -2.245 0.00 0.00 +0.023 A BRANCH 2 10 ATOM 8 O LIG 1 4.428 0.280 -0.830 0.00 0.00 -0.252 OA ATOM 9 C LIG 1 3.739 0.460 0.166 0.00 0.00 +0.308 C ATOM 10 N LIG 1 2.422 0.898 0.156 0.00 0.00 -0.269 N ATOM 11 H LIG 1 2.076 1.264 1.029 0.00 0.00 +0.156 HD ATOM 12 N LIG 1 4.159 0.257 1.474 0.00 0.00 -0.269 N ATOM 13 H LIG 1 3.423 0.164 2.157 0.00 0.00 +0.156 HD BRANCH 12 14 ATOM 14 C LIG 1 5.457 -0.067 1.919 0.00 0.00 +0.035 A ATOM 15 C LIG 1 6.591 -0.030 1.106 0.00 0.00 +0.023 A ATOM 16 C LIG 1 7.848 -0.353 1.627 0.00 0.00 +0.002 A ATOM 17 C LIG 1 7.982 -0.712 2.966 0.00 0.00 +0.000 A ATOM 18 C LIG 1 6.859 -0.744 3.788 0.00 0.00 +0.002 A ATOM 19 C LIG 1 5.604 -0.420 3.267 0.00 0.00 +0.023 A ENDBRANCH 12 14 ENDBRANCH 2 10 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 C LIG 1 -1.941 0.206 -4.591 0.00 0.00 +0.107 C BRANCH 20 21 ATOM 21 N LIG 1 -2.886 -0.252 -3.571 0.00 0.00 -0.328 N ATOM 22 H LIG 1 -3.517 0.466 -3.238 0.00 0.00 +0.147 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.352 -1.019 -2.533 0.00 0.00 +0.133 A ATOM 24 C LIG 1 -2.877 -0.983 -1.234 0.00 0.00 +0.080 A ATOM 25 C LIG 1 -2.232 -1.748 -0.277 0.00 0.00 +0.233 A ATOM 26 O LIG 1 -2.840 -1.590 0.931 0.00 0.00 -0.437 OA ATOM 27 C LIG 1 -3.886 -0.725 0.763 0.00 0.00 +0.138 A ATOM 28 N LIG 1 -1.164 -2.536 -0.451 0.00 0.00 -0.200 NA ATOM 29 C LIG 1 -0.759 -2.517 -1.726 0.00 0.00 +0.227 A ATOM 30 C LIG 1 -3.943 -0.327 -0.559 0.00 0.00 +0.063 A ATOM 31 N LIG 1 -1.290 -1.830 -2.756 0.00 0.00 -0.220 NA BRANCH 27 32 ATOM 32 C LIG 1 -4.673 -0.422 1.957 0.00 0.00 +0.017 A ATOM 33 C LIG 1 -4.375 -1.014 3.195 0.00 0.00 +0.011 A ATOM 34 C LIG 1 -5.130 -0.720 4.334 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -6.196 0.172 4.252 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.508 0.767 3.033 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -5.752 0.472 1.894 0.00 0.00 +0.011 A ENDBRANCH 27 32 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7