REMARK Name = BDB026671 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -5.457 1.508 1.496 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 -4.372 0.997 1.230 0.00 0.00 +0.218 C ATOM 3 N LIG 1 -4.070 0.610 -0.049 0.00 0.00 -0.285 N ATOM 4 H LIG 1 -4.812 0.723 -0.727 0.00 0.00 +0.155 HD ATOM 5 C LIG 1 -2.835 0.086 -0.437 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -1.760 0.114 0.454 0.00 0.00 -0.024 A ATOM 7 C LIG 1 -0.514 -0.391 0.053 0.00 0.00 +0.031 A ATOM 8 C LIG 1 -0.341 -0.927 -1.231 0.00 0.00 +0.048 A ATOM 9 C LIG 1 -1.438 -0.956 -2.108 0.00 0.00 +0.028 A ATOM 10 C LIG 1 -1.930 0.785 1.789 0.00 0.00 +0.046 C ATOM 11 C LIG 1 -2.677 -0.439 -1.716 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -3.357 0.653 2.295 0.00 0.00 +0.101 C ENDROOT BRANCH 8 13 ATOM 13 N LIG 1 0.920 -1.456 -1.650 0.00 0.00 -0.299 N ATOM 14 C LIG 1 2.207 -1.185 -1.178 0.00 0.00 +0.073 A ATOM 15 C LIG 1 3.030 -2.043 -1.889 0.00 0.00 +0.139 A ATOM 16 N LIG 1 2.332 -2.791 -2.788 0.00 0.00 -0.243 NA ATOM 17 C LIG 1 1.086 -2.410 -2.637 0.00 0.00 +0.204 A BRANCH 14 18 ATOM 18 C LIG 1 2.619 -0.147 -0.238 0.00 0.00 +0.000 A ATOM 19 C LIG 1 2.389 1.206 -0.520 0.00 0.00 +0.010 A ATOM 20 C LIG 1 2.795 2.193 0.380 0.00 0.00 +0.001 A ATOM 21 C LIG 1 3.442 1.837 1.562 0.00 0.00 +0.000 A ATOM 22 C LIG 1 3.689 0.494 1.843 0.00 0.00 +0.001 A ATOM 23 C LIG 1 3.284 -0.495 0.944 0.00 0.00 +0.010 A ENDBRANCH 14 18 ENDBRANCH 8 13 TORSDOF 2