REMARK Name = BDB033590 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.498 -0.071 -0.666 0.00 0.00 +0.192 A ATOM 2 C LIG 1 -0.790 0.169 -0.122 0.00 0.00 +0.106 A ATOM 3 C LIG 1 -0.939 -0.831 0.819 0.00 0.00 +0.173 A ATOM 4 C LIG 1 -2.067 -1.005 1.616 0.00 0.00 +0.055 A ATOM 5 C LIG 1 -3.108 -0.080 1.433 0.00 0.00 -0.019 A ATOM 6 C LIG 1 -2.978 0.955 0.481 0.00 0.00 +0.052 A ATOM 7 O LIG 1 0.181 -1.600 0.841 0.00 0.00 -0.353 OA ATOM 8 C LIG 1 -1.829 1.097 -0.318 0.00 0.00 +0.135 A ATOM 9 N LIG 1 1.091 -1.117 -0.085 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 1.078 0.717 -1.649 0.00 0.00 -0.196 N ATOM 11 H LIG 1 0.558 1.514 -2.014 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 2.493 0.349 -2.451 0.00 0.00 +0.079 S ATOM 13 O LIG 1 2.360 -0.993 -2.975 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 2.729 1.470 -3.340 0.00 0.00 -0.150 OA BRANCH 12 16 ATOM 15 C LIG 1 4.705 -0.537 -1.026 0.00 0.00 +0.150 A ATOM 16 C LIG 1 3.727 0.430 -1.208 0.00 0.00 +0.168 A ATOM 17 C LIG 1 3.724 1.520 -0.356 0.00 0.00 +0.143 A ATOM 18 N LIG 1 4.611 1.692 0.655 0.00 0.00 -0.258 NA ATOM 19 C LIG 1 5.563 0.743 0.814 0.00 0.00 +0.042 A ATOM 20 C LIG 1 6.559 0.943 1.917 0.00 0.00 +0.066 C ATOM 21 C LIG 1 5.648 -0.374 -0.010 0.00 0.00 +0.070 A BRANCH 15 23 ATOM 22 C LIG 1 4.404 -2.808 -1.283 0.00 0.00 +0.277 C ATOM 23 O LIG 1 4.847 -1.590 -1.885 0.00 0.00 -0.493 OA ENDBRANCH 15 23 ENDBRANCH 12 16 ENDBRANCH 10 12 ENDBRANCH 1 10 BRANCH 8 24 ATOM 24 O LIG 1 -1.633 2.070 -1.261 0.00 0.00 -0.494 OA ATOM 25 C LIG 1 -2.772 2.844 -1.627 0.00 0.00 +0.277 C ENDBRANCH 8 24 BRANCH 5 26 ATOM 26 C LIG 1 -4.371 -0.190 2.259 0.00 0.00 +0.178 C BRANCH 26 27 ATOM 27 N LIG 1 -5.516 -0.563 1.440 0.00 0.00 -0.267 N ATOM 28 N LIG 1 -6.344 0.391 0.960 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 -7.265 -0.303 0.285 0.00 0.00 +0.134 A ATOM 30 C LIG 1 -7.036 -1.690 0.335 0.00 0.00 +0.041 A ATOM 31 C LIG 1 -5.898 -1.829 1.094 0.00 0.00 +0.108 A ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7