REMARK Name = BDB021656 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.636 0.731 -5.549 0.00 0.00 +0.053 C ATOM 2 C LIG 1 -0.672 0.066 -4.175 0.00 0.00 +0.188 C ATOM 3 O LIG 1 0.484 0.519 -3.482 0.00 0.00 -0.487 OA ATOM 4 C LIG 1 0.708 0.109 -2.200 0.00 0.00 +0.137 A ATOM 5 C LIG 1 -0.106 -0.622 -1.329 0.00 0.00 +0.079 A ATOM 6 C LIG 1 0.404 -0.912 -0.041 0.00 0.00 +0.020 A ATOM 7 C LIG 1 1.669 -0.486 0.380 0.00 0.00 +0.046 A ATOM 8 C LIG 1 2.465 0.248 -0.482 0.00 0.00 +0.124 A ATOM 9 C LIG 1 -1.482 -1.163 -1.573 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -1.865 -2.098 -0.867 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -2.329 -0.612 -2.526 0.00 0.00 -0.291 N ATOM 12 C LIG 1 1.977 0.537 -1.757 0.00 0.00 +0.092 A ATOM 13 C LIG 1 -1.931 0.470 -3.416 0.00 0.00 +0.152 C ENDROOT BRANCH 8 14 ATOM 14 O LIG 1 3.714 0.734 -0.229 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 4.314 0.511 1.055 0.00 0.00 +0.176 C ATOM 16 C LIG 1 4.997 -0.859 1.106 0.00 0.00 +0.060 C ATOM 17 C LIG 1 6.190 -0.922 0.149 0.00 0.00 +0.088 C ATOM 18 N LIG 1 7.191 0.128 0.384 0.00 0.00 -0.300 NA ATOM 19 C LIG 1 6.560 1.456 0.336 0.00 0.00 +0.088 C ATOM 20 C LIG 1 5.355 1.615 1.268 0.00 0.00 +0.060 C BRANCH 18 21 ATOM 21 C LIG 1 7.986 -0.095 1.601 0.00 0.00 +0.115 C BRANCH 21 22 ATOM 22 C LIG 1 9.507 0.042 1.363 0.00 0.00 +0.125 C ATOM 23 C LIG 1 9.949 1.447 0.981 0.00 0.00 +0.039 C BRANCH 22 24 ATOM 24 O LIG 1 10.203 -0.315 2.563 0.00 0.00 -0.391 OA ATOM 25 H LIG 1 10.073 -1.270 2.696 0.00 0.00 +0.210 HD ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 14 15 ENDBRANCH 8 14 BRANCH 11 26 ATOM 26 C LIG 1 -3.678 -1.182 -2.703 0.00 0.00 +0.140 C BRANCH 26 27 ATOM 27 C LIG 1 -4.773 -0.481 -1.867 0.00 0.00 +0.146 C BRANCH 27 28 ATOM 28 O LIG 1 -4.709 0.931 -2.120 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -3.912 1.250 -1.662 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -4.652 -0.795 -0.353 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 N LIG 1 -5.885 -0.571 0.439 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 -5.668 -1.073 1.814 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -6.801 -0.774 2.772 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -7.723 0.249 2.502 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -8.744 0.529 3.421 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -8.832 -0.185 4.615 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.907 -1.188 4.896 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.654 0.992 1.195 0.00 0.00 +0.051 C ATOM 39 C LIG 1 -6.895 -1.480 3.982 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -6.299 0.839 0.487 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 11 26 TORSDOF 10