REMARK Name = BDB030754 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.149 -1.536 1.029 0.00 0.00 -0.313 N ATOM 2 H LIG 1 -0.549 -1.968 1.861 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.898 -0.433 0.578 0.00 0.00 +0.032 A ATOM 4 C LIG 1 -2.299 -0.511 0.623 0.00 0.00 +0.035 A ATOM 5 C LIG 1 -3.143 0.522 0.152 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -4.633 0.392 0.172 0.00 0.00 +0.084 A ATOM 7 N LIG 1 -5.136 -0.881 0.434 0.00 0.00 -0.338 N ATOM 8 H LIG 1 -4.502 -1.645 0.221 0.00 0.00 +0.146 HD ATOM 9 C LIG 1 -6.204 -1.242 1.355 0.00 0.00 +0.071 C ATOM 10 C LIG 1 -5.622 -1.523 2.738 0.00 0.00 +0.028 C ATOM 11 C LIG 1 -7.317 -0.204 1.419 0.00 0.00 +0.063 C ATOM 12 C LIG 1 -7.564 0.397 0.048 0.00 0.00 +0.231 C ATOM 13 O LIG 1 -6.765 1.553 -0.159 0.00 0.00 -0.485 OA ATOM 14 C LIG 1 -5.383 1.485 -0.118 0.00 0.00 +0.207 A ATOM 15 C LIG 1 -4.726 2.790 -0.494 0.00 0.00 +0.295 A ATOM 16 N LIG 1 -3.351 2.809 -0.668 0.00 0.00 -0.308 N ATOM 17 C LIG 1 -2.738 4.049 -1.123 0.00 0.00 +0.152 C ATOM 18 O LIG 1 -5.427 3.791 -0.668 0.00 0.00 -0.264 OA ATOM 19 C LIG 1 -2.540 1.698 -0.318 0.00 0.00 +0.054 A ATOM 20 C LIG 1 -1.138 1.772 -0.389 0.00 0.00 +0.028 A ATOM 21 C LIG 1 -0.332 0.715 0.040 0.00 0.00 +0.025 A ENDBRANCH 1 3 BRANCH 1 27 ATOM 22 C LIG 1 3.215 -1.957 -0.491 0.00 0.00 +0.127 A ATOM 23 N LIG 1 3.922 -2.602 0.474 0.00 0.00 -0.249 NA ATOM 24 C LIG 1 3.256 -2.878 1.617 0.00 0.00 +0.133 A ATOM 25 C LIG 1 1.925 -2.551 1.839 0.00 0.00 +0.080 A ATOM 26 CL LIG 1 1.192 -2.958 3.348 0.00 0.00 -0.080 Cl ATOM 27 C LIG 1 1.203 -1.896 0.828 0.00 0.00 +0.054 A ATOM 28 C LIG 1 1.870 -1.617 -0.367 0.00 0.00 +0.057 A BRANCH 22 31 ATOM 29 C LIG 1 5.972 -0.635 -0.638 0.00 0.00 +0.102 C ATOM 30 N LIG 1 5.198 -1.155 -1.777 0.00 0.00 -0.291 N ATOM 31 C LIG 1 3.905 -1.659 -1.780 0.00 0.00 +0.265 C ATOM 32 O LIG 1 3.291 -1.869 -2.829 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 5.930 -1.028 -3.025 0.00 0.00 +0.108 C ATOM 34 C LIG 1 7.189 -0.252 -2.671 0.00 0.00 +0.021 C ATOM 35 C LIG 1 7.399 -0.584 -1.199 0.00 0.00 +0.026 C BRANCH 29 36 ATOM 36 C LIG 1 5.494 0.768 -0.201 0.00 0.00 +0.181 C BRANCH 36 38 ATOM 37 C LIG 1 3.787 1.966 0.905 0.00 0.00 +0.194 C ATOM 38 O LIG 1 4.241 0.687 0.485 0.00 0.00 -0.381 OA ENDBRANCH 36 38 ENDBRANCH 29 36 ENDBRANCH 22 31 ENDBRANCH 1 27 TORSDOF 5