REMARK Name = BDB035294 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.496 1.182 0.717 0.00 0.00 +0.031 A ATOM 2 N LIG 1 3.320 1.274 0.002 0.00 0.00 -0.353 N ATOM 3 H LIG 1 3.266 1.432 -0.999 0.00 0.00 +0.166 HD ATOM 4 C LIG 1 2.256 1.069 0.838 0.00 0.00 +0.114 A ATOM 5 C LIG 1 2.759 0.858 2.101 0.00 0.00 +0.024 A ATOM 6 C LIG 1 1.837 0.627 3.158 0.00 0.00 +0.078 A ATOM 7 C LIG 1 0.518 0.602 2.878 0.00 0.00 +0.115 A ATOM 8 N LIG 1 -0.017 0.793 1.579 0.00 0.00 -0.265 N ATOM 9 C LIG 1 0.851 1.076 0.483 0.00 0.00 +0.281 A ATOM 10 O LIG 1 0.513 1.341 -0.666 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 4.167 0.926 2.039 0.00 0.00 +0.034 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -1.451 0.734 1.409 0.00 0.00 +0.141 A ATOM 13 N LIG 1 -2.199 0.756 2.544 0.00 0.00 -0.234 NA ATOM 14 C LIG 1 -3.554 0.704 2.494 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -4.203 0.634 1.265 0.00 0.00 +0.032 A ATOM 16 C LIG 1 -3.468 0.585 0.079 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -2.071 0.634 0.169 0.00 0.00 +0.055 A BRANCH 16 18 ATOM 18 C LIG 1 -4.137 0.493 -1.231 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -5.020 -0.534 -1.599 0.00 0.00 +0.133 A ATOM 20 N LIG 1 -5.675 -0.596 -2.799 0.00 0.00 -0.250 NA ATOM 21 C LIG 1 -5.428 0.392 -3.680 0.00 0.00 +0.111 A ATOM 22 C LIG 1 -4.571 1.446 -3.427 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -3.926 1.495 -2.193 0.00 0.00 +0.012 A BRANCH 19 24 ATOM 24 C LIG 1 -5.258 -1.702 -0.690 0.00 0.00 +0.265 C ATOM 25 N LIG 1 -6.574 -2.029 -0.333 0.00 0.00 -0.302 N ATOM 26 C LIG 1 -6.808 -3.292 0.344 0.00 0.00 +0.132 C ATOM 27 C LIG 1 -7.749 -1.348 -0.856 0.00 0.00 +0.132 C ATOM 28 O LIG 1 -4.282 -2.329 -0.280 0.00 0.00 -0.268 OA ENDBRANCH 19 24 ENDBRANCH 16 18 BRANCH 14 29 ATOM 29 C LIG 1 -4.283 0.723 3.823 0.00 0.00 +0.038 C ATOM 30 C LIG 1 -5.489 -0.155 4.066 0.00 0.00 +0.010 C ATOM 31 C LIG 1 -5.653 1.337 3.988 0.00 0.00 +0.010 C ENDBRANCH 14 29 ENDBRANCH 8 12 BRANCH 6 32 ATOM 32 C LIG 1 2.302 0.419 4.489 0.00 0.00 +0.101 C ATOM 33 N LIG 1 2.677 0.250 5.575 0.00 0.00 -0.191 NA ENDBRANCH 6 32 BRANCH 1 34 ATOM 34 C LIG 1 5.824 1.365 0.055 0.00 0.00 +0.137 C BRANCH 34 38 ATOM 35 C LIG 1 7.121 -2.817 -1.663 0.00 0.00 +0.009 C ATOM 36 C LIG 1 7.177 -1.291 -1.718 0.00 0.00 +0.000 C ATOM 37 C LIG 1 5.833 -0.670 -1.310 0.00 0.00 +0.088 C ATOM 38 N LIG 1 5.826 0.806 -1.305 0.00 0.00 -0.296 NA ATOM 39 C LIG 1 6.916 1.399 -2.094 0.00 0.00 +0.085 C ATOM 40 C LIG 1 7.162 0.629 -3.388 0.00 0.00 +0.016 C ATOM 41 C LIG 1 7.593 -0.812 -3.115 0.00 0.00 +0.006 C ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 7