REMARK Name = BDB056968 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.839 -0.557 0.620 0.00 0.00 -0.012 A ATOM 2 C LIG 1 0.495 -0.922 0.378 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.481 0.041 0.127 0.00 0.00 -0.007 A ATOM 4 C LIG 1 1.116 1.396 0.101 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -0.198 1.792 0.345 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -1.162 0.810 0.606 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 2.858 -0.370 -0.142 0.00 0.00 +0.089 A ATOM 8 C LIG 1 3.279 -1.457 -1.048 0.00 0.00 +0.291 A ATOM 9 O LIG 1 2.536 -2.087 -1.785 0.00 0.00 -0.264 OA ATOM 10 N LIG 1 4.650 -1.590 -0.928 0.00 0.00 -0.171 N ATOM 11 O LIG 1 5.162 -0.496 -0.184 0.00 0.00 -0.379 OA ATOM 12 C LIG 1 4.019 0.129 0.296 0.00 0.00 +0.143 A ATOM 13 C LIG 1 4.256 1.235 1.267 0.00 0.00 +0.090 C BRANCH 10 14 ATOM 14 C LIG 1 5.497 -1.976 -2.039 0.00 0.00 +0.162 C ATOM 15 C LIG 1 5.528 -0.938 -3.154 0.00 0.00 +0.030 C ENDBRANCH 10 14 ENDBRANCH 3 7 BRANCH 1 17 ATOM 16 C LIG 1 -3.052 -1.673 0.113 0.00 0.00 +0.128 A ATOM 17 C LIG 1 -1.871 -1.580 0.876 0.00 0.00 +0.025 A ATOM 18 C LIG 1 -1.694 -2.517 1.912 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -2.657 -3.502 2.187 0.00 0.00 +0.018 A ATOM 20 C LIG 1 -3.826 -3.557 1.419 0.00 0.00 +0.015 A ATOM 21 C LIG 1 -4.027 -2.639 0.388 0.00 0.00 +0.047 A BRANCH 19 22 ATOM 22 C LIG 1 -2.392 -4.460 3.303 0.00 0.00 +0.160 C ATOM 23 O LIG 1 -1.329 -4.407 3.918 0.00 0.00 -0.292 OA ATOM 24 C LIG 1 -3.436 -5.488 3.647 0.00 0.00 +0.091 C ENDBRANCH 19 22 BRANCH 16 25 ATOM 25 O LIG 1 -3.293 -0.764 -0.886 0.00 0.00 -0.492 OA BRANCH 25 27 ATOM 26 C LIG 1 -2.306 -0.370 -3.028 0.00 0.00 +0.048 C ATOM 27 C LIG 1 -3.110 -1.343 -2.184 0.00 0.00 +0.226 C ENDBRANCH 25 27 ENDBRANCH 16 25 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 N LIG 1 -0.640 3.133 0.331 0.00 0.00 -0.279 N ATOM 29 H LIG 1 -1.630 3.260 0.483 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 0.121 4.283 0.165 0.00 0.00 +0.284 C ATOM 31 O LIG 1 1.344 4.290 0.055 0.00 0.00 -0.266 OA BRANCH 30 32 ATOM 32 C LIG 1 -0.665 5.513 0.147 0.00 0.00 +0.189 A ATOM 33 O LIG 1 0.016 6.704 0.091 0.00 0.00 -0.458 OA ATOM 34 C LIG 1 -0.899 7.705 0.081 0.00 0.00 +0.196 A ATOM 35 C LIG 1 -2.171 7.193 0.127 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -2.025 5.783 0.169 0.00 0.00 +0.054 A ENDBRANCH 30 32 ENDBRANCH 5 28 TORSDOF 8