REMARK Name = BDB060870 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.216 1.003 2.287 0.00 0.00 +0.221 A ATOM 2 N LIG 1 0.100 1.130 2.506 0.00 0.00 -0.196 NA ATOM 3 C LIG 1 0.517 1.702 3.656 0.00 0.00 +0.149 A ATOM 4 C LIG 1 -0.367 2.160 4.621 0.00 0.00 +0.039 A ATOM 5 C LIG 1 0.108 2.779 5.862 0.00 0.00 -0.033 A ATOM 6 C LIG 1 1.431 2.888 6.037 0.00 0.00 +0.074 A ATOM 7 C LIG 1 2.417 2.414 5.037 0.00 0.00 +0.253 A ATOM 8 O LIG 1 3.609 2.556 5.300 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -0.867 3.268 6.891 0.00 0.00 +0.045 C ATOM 10 C LIG 1 -1.697 1.981 4.303 0.00 0.00 +0.126 A ATOM 11 N LIG 1 1.921 1.845 3.874 0.00 0.00 -0.290 N ATOM 12 N LIG 1 -2.137 1.416 3.162 0.00 0.00 -0.222 NA ENDROOT BRANCH 11 13 ATOM 13 C LIG 1 2.877 1.349 2.866 0.00 0.00 +0.092 C ATOM 14 C LIG 1 2.782 2.083 1.511 0.00 0.00 +0.027 C ATOM 15 C LIG 1 3.028 1.164 0.316 0.00 0.00 +0.024 C ATOM 16 C LIG 1 4.205 0.222 0.572 0.00 0.00 +0.073 C ATOM 17 C LIG 1 3.973 -0.681 1.796 0.00 0.00 +0.024 C ATOM 18 C LIG 1 2.872 -0.183 2.735 0.00 0.00 +0.027 C BRANCH 16 19 ATOM 19 N LIG 1 4.484 -0.574 -0.616 0.00 0.00 -0.312 N ATOM 20 H LIG 1 3.698 -0.958 -1.122 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 5.727 -1.139 -0.828 0.00 0.00 +0.216 C ATOM 22 O LIG 1 6.680 -0.946 -0.082 0.00 0.00 -0.276 OA BRANCH 21 23 ATOM 23 C LIG 1 5.792 -2.024 -2.079 0.00 0.00 +0.075 C ATOM 24 C LIG 1 5.527 -1.207 -3.348 0.00 0.00 +0.013 C ATOM 25 C LIG 1 6.635 -0.192 -3.640 0.00 0.00 +0.001 C ATOM 26 C LIG 1 8.026 -0.656 -3.208 0.00 0.00 +0.000 C ATOM 27 C LIG 1 8.132 -2.173 -3.157 0.00 0.00 +0.001 C ATOM 28 C LIG 1 7.120 -2.797 -2.190 0.00 0.00 +0.013 C ENDBRANCH 21 23 ENDBRANCH 16 19 ENDBRANCH 11 13 BRANCH 1 29 ATOM 29 N LIG 1 -1.558 0.413 1.081 0.00 0.00 -0.281 N ATOM 30 H LIG 1 -0.734 0.171 0.546 0.00 0.00 +0.155 HD BRANCH 29 32 ATOM 31 C LIG 1 -2.706 -0.504 -0.839 0.00 0.00 +0.143 A ATOM 32 C LIG 1 -2.764 0.104 0.433 0.00 0.00 +0.076 A ATOM 33 C LIG 1 -4.021 0.358 0.980 0.00 0.00 +0.029 A ATOM 34 C LIG 1 -5.194 0.030 0.286 0.00 0.00 +0.025 A ATOM 35 C LIG 1 -5.155 -0.552 -0.985 0.00 0.00 +0.033 A ATOM 36 C LIG 1 -3.886 -0.823 -1.526 0.00 0.00 +0.070 A BRANCH 35 37 ATOM 37 N LIG 1 -6.303 -0.897 -1.717 0.00 0.00 -0.327 N ATOM 38 C LIG 1 -7.584 -1.005 -0.989 0.00 0.00 +0.120 C ATOM 39 C LIG 1 -8.682 -1.605 -1.900 0.00 0.00 +0.103 C ATOM 40 N LIG 1 -8.880 -0.912 -3.193 0.00 0.00 -0.302 NA ATOM 41 C LIG 1 -9.528 0.385 -3.019 0.00 0.00 +0.105 C ATOM 42 C LIG 1 -7.569 -0.781 -3.865 0.00 0.00 +0.103 C ATOM 43 C LIG 1 -6.430 -0.177 -3.007 0.00 0.00 +0.120 C ENDBRANCH 35 37 BRANCH 31 45 ATOM 44 C LIG 1 -1.323 -1.410 -2.563 0.00 0.00 +0.277 C ATOM 45 O LIG 1 -1.432 -0.742 -1.312 0.00 0.00 -0.493 OA ENDBRANCH 31 45 ENDBRANCH 29 32 ENDBRANCH 1 29 TORSDOF 7