REMARK Name = BDB058655 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.082 -1.140 0.153 0.00 0.00 +0.059 A ATOM 2 C LIG 1 -0.092 0.285 0.081 0.00 0.00 +0.053 A ATOM 3 C LIG 1 1.122 0.996 -0.010 0.00 0.00 +0.056 A ATOM 4 C LIG 1 2.322 0.277 -0.028 0.00 0.00 +0.113 A ATOM 5 C LIG 1 2.279 -1.101 0.039 0.00 0.00 +0.159 A ATOM 6 O LIG 1 3.563 -1.555 0.002 0.00 0.00 -0.424 OA ATOM 7 C LIG 1 4.323 -0.418 -0.089 0.00 0.00 +0.291 A ATOM 8 N LIG 1 3.623 0.699 -0.109 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 1.120 -1.862 0.129 0.00 0.00 +0.073 A ENDROOT BRANCH 2 10 ATOM 10 N LIG 1 -1.346 0.954 0.063 0.00 0.00 -0.328 N ATOM 11 C LIG 1 -1.790 1.215 -1.321 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.038 2.092 -1.306 0.00 0.00 +0.024 C ATOM 13 C LIG 1 -2.764 3.466 -0.660 0.00 0.00 +0.017 C ATOM 14 C LIG 1 -1.584 3.410 0.325 0.00 0.00 +0.024 C ATOM 15 C LIG 1 -1.494 2.058 1.026 0.00 0.00 +0.105 C BRANCH 13 16 ATOM 16 C LIG 1 -2.516 4.553 -1.711 0.00 0.00 +0.159 C BRANCH 16 17 ATOM 17 O LIG 1 -3.668 4.735 -2.523 0.00 0.00 -0.395 OA ATOM 18 H LIG 1 -4.375 5.087 -1.955 0.00 0.00 +0.209 HD ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 2 10 BRANCH 7 19 ATOM 19 N LIG 1 5.661 -0.574 -0.151 0.00 0.00 -0.281 N ATOM 20 C LIG 1 6.268 -1.876 0.127 0.00 0.00 +0.137 C ATOM 21 C LIG 1 7.781 -1.811 -0.132 0.00 0.00 +0.179 C ATOM 22 O LIG 1 8.462 -0.830 0.666 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 7.641 0.295 1.017 0.00 0.00 +0.179 C ATOM 24 C LIG 1 6.528 0.596 0.001 0.00 0.00 +0.137 C ENDBRANCH 7 19 BRANCH 1 27 ATOM 25 O LIG 1 -0.835 -4.018 0.260 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 -1.647 -3.101 0.328 0.00 0.00 +0.253 C ATOM 27 N LIG 1 -1.347 -1.759 0.272 0.00 0.00 -0.280 N ATOM 28 H LIG 1 -2.123 -1.095 0.329 0.00 0.00 +0.155 HD BRANCH 26 29 ATOM 29 C LIG 1 -3.063 -3.398 0.472 0.00 0.00 +0.101 A ATOM 30 C LIG 1 -4.135 -2.532 0.589 0.00 0.00 +0.168 A ATOM 31 N LIG 1 -5.276 -3.337 0.709 0.00 0.00 -0.221 N ATOM 32 C LIG 1 -6.535 -2.761 0.853 0.00 0.00 +0.116 A ATOM 33 C LIG 1 -6.673 -1.430 0.881 0.00 0.00 +0.039 A ATOM 34 C LIG 1 -5.404 -0.662 0.747 0.00 0.00 +0.114 A ATOM 35 N LIG 1 -4.975 -4.654 0.666 0.00 0.00 -0.173 NA ATOM 36 N LIG 1 -4.212 -1.162 0.607 0.00 0.00 -0.235 NA ATOM 37 C LIG 1 -3.649 -4.681 0.527 0.00 0.00 +0.150 A ENDBRANCH 26 29 ENDBRANCH 1 27 TORSDOF 6