REMARK Name = BDB062700 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.685 1.054 -1.528 0.00 0.00 -0.293 N ATOM 2 C LIG 1 0.814 1.700 -0.655 0.00 0.00 +0.247 C ATOM 3 O LIG 1 0.956 2.865 -0.294 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.352 0.913 -0.150 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.126 1.458 0.883 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.245 0.776 1.372 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.582 -0.459 0.800 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -1.819 -1.028 -0.239 0.00 0.00 -0.012 A ATOM 9 C LIG 1 -0.684 -0.335 -0.712 0.00 0.00 -0.026 A ATOM 10 C LIG 1 0.150 -0.847 -1.861 0.00 0.00 +0.055 C ATOM 11 C LIG 1 1.594 -0.386 -1.715 0.00 0.00 +0.113 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -2.249 -2.314 -0.806 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -1.792 -3.554 -0.328 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -0.826 -3.645 0.819 0.00 0.00 +0.066 C ATOM 15 N LIG 1 -2.183 -4.741 -0.863 0.00 0.00 -0.260 NA ATOM 16 C LIG 1 -3.062 -4.708 -1.887 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -3.576 -3.542 -2.420 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -3.162 -2.333 -1.872 0.00 0.00 +0.012 A ENDBRANCH 8 12 BRANCH 1 19 ATOM 19 C LIG 1 2.922 1.725 -1.915 0.00 0.00 +0.143 C BRANCH 19 24 ATOM 20 C LIG 1 6.156 0.002 -0.845 0.00 0.00 +0.124 A ATOM 21 C LIG 1 6.274 0.450 0.476 0.00 0.00 +0.091 A ATOM 22 C LIG 1 5.324 1.311 1.023 0.00 0.00 +0.124 A ATOM 23 C LIG 1 4.246 1.724 0.238 0.00 0.00 +0.051 A ATOM 24 C LIG 1 4.108 1.286 -1.088 0.00 0.00 -0.023 A ATOM 25 C LIG 1 5.074 0.419 -1.622 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 7.111 -1.300 -2.594 0.00 0.00 +0.277 C ATOM 27 O LIG 1 7.158 -0.839 -1.250 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 5.330 1.813 2.296 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 6.423 1.443 3.127 0.00 0.00 +0.277 C ENDBRANCH 22 28 ENDBRANCH 19 24 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 C LIG 1 -3.091 1.377 2.473 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 N LIG 1 -4.370 1.825 1.964 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -5.580 1.125 2.055 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -5.852 0.013 2.638 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -5.017 -0.358 3.087 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -6.488 1.922 1.352 0.00 0.00 -0.320 N ATOM 36 C LIG 1 -7.895 1.623 1.264 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -5.857 3.061 0.880 0.00 0.00 +0.106 A ATOM 38 C LIG 1 -4.569 2.998 1.241 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 6 30 TORSDOF 7