REMARK Name = BDB002692 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.708 0.531 1.419 0.00 0.00 +0.073 A ATOM 2 N LIG 1 3.705 -0.746 1.867 0.00 0.00 -0.247 NA ATOM 3 C LIG 1 2.669 -1.551 1.590 0.00 0.00 +0.072 A ATOM 4 C LIG 1 1.551 -1.142 0.835 0.00 0.00 +0.013 A ATOM 5 C LIG 1 0.495 -2.075 0.648 0.00 0.00 +0.011 A ATOM 6 C LIG 1 0.563 -3.369 1.164 0.00 0.00 +0.001 A ATOM 7 C LIG 1 1.681 -3.758 1.883 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.572 0.191 0.345 0.00 0.00 +0.050 A ATOM 9 C LIG 1 2.716 -2.846 2.090 0.00 0.00 +0.028 A ATOM 10 C LIG 1 2.655 1.024 0.665 0.00 0.00 +0.042 A ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 7.173 2.862 2.578 0.00 0.00 +0.162 A ATOM 12 C LIG 1 6.452 3.176 1.418 0.00 0.00 +0.162 A ATOM 13 C LIG 1 5.345 2.416 1.020 0.00 0.00 +0.059 A ATOM 14 C LIG 1 4.887 1.341 1.798 0.00 0.00 +0.004 A ATOM 15 C LIG 1 5.611 1.048 2.970 0.00 0.00 +0.014 A ATOM 16 C LIG 1 6.737 1.792 3.356 0.00 0.00 +0.050 A BRANCH 11 18 ATOM 17 C LIG 1 9.031 3.312 4.002 0.00 0.00 +0.277 C ATOM 18 O LIG 1 8.267 3.640 2.850 0.00 0.00 -0.491 OA ENDBRANCH 11 18 BRANCH 12 19 ATOM 19 O LIG 1 6.844 4.193 0.581 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 6.398 5.449 1.090 0.00 0.00 +0.277 C ENDBRANCH 12 19 ENDBRANCH 1 14 BRANCH 8 21 ATOM 21 C LIG 1 0.522 0.774 -0.481 0.00 0.00 +0.249 A ATOM 22 O LIG 1 -0.057 -0.020 -1.437 0.00 0.00 -0.417 OA ATOM 23 C LIG 1 -0.928 0.852 -2.037 0.00 0.00 +0.255 A ATOM 24 N LIG 1 -0.867 2.065 -1.528 0.00 0.00 -0.108 NA ATOM 25 N LIG 1 0.086 2.018 -0.531 0.00 0.00 -0.107 NA BRANCH 23 26 ATOM 26 C LIG 1 -1.780 0.325 -3.126 0.00 0.00 +0.329 C BRANCH 26 27 ATOM 27 O LIG 1 -2.688 -0.610 -2.530 0.00 0.00 -0.455 OA BRANCH 27 28 ATOM 28 C LIG 1 -3.583 -1.126 -3.412 0.00 0.00 +0.308 C ATOM 29 O LIG 1 -3.630 -0.855 -4.603 0.00 0.00 -0.251 OA BRANCH 28 30 ATOM 30 C LIG 1 -4.528 -2.072 -2.716 0.00 0.00 +0.124 C BRANCH 30 31 ATOM 31 C LIG 1 -5.585 -1.310 -1.923 0.00 0.00 +0.003 C ATOM 32 C LIG 1 -6.429 -2.172 -0.952 0.00 0.00 -0.007 C ATOM 33 C LIG 1 -7.615 -1.239 -0.692 0.00 0.00 +0.007 C ATOM 34 C LIG 1 -7.981 -1.143 -2.173 0.00 0.00 -0.010 C ATOM 35 C LIG 1 -8.172 -2.623 -2.547 0.00 0.00 +0.004 C ATOM 36 C LIG 1 -7.123 -3.336 -1.682 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -6.667 -0.642 -2.801 0.00 0.00 +0.008 C ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 8 21 TORSDOF 9