REMARK Name = BDB059494 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.889 -0.198 0.077 0.00 0.00 +0.045 C ATOM 2 C LIG 1 0.866 -1.251 0.378 0.00 0.00 -0.026 A ATOM 3 C LIG 1 -0.559 -0.981 0.396 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -1.230 0.320 0.031 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -2.655 0.303 0.384 0.00 0.00 -0.293 N ATOM 6 C LIG 1 -3.373 -0.964 0.146 0.00 0.00 +0.113 C ATOM 7 C LIG 1 -2.762 -2.125 0.936 0.00 0.00 +0.062 C ATOM 8 C LIG 1 -3.305 1.538 0.299 0.00 0.00 +0.247 C ATOM 9 O LIG 1 -2.763 2.559 -0.120 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.277 -2.094 0.782 0.00 0.00 -0.003 A ATOM 11 S LIG 1 -0.307 -3.436 1.107 0.00 0.00 -0.088 S ATOM 12 C LIG 1 1.129 -2.593 0.672 0.00 0.00 +0.077 A ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -4.710 1.628 0.758 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -5.653 2.261 -0.048 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -6.982 2.351 0.383 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -7.407 1.828 1.620 0.00 0.00 +0.029 A ATOM 17 C LIG 1 -6.417 1.240 2.429 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -5.084 1.136 2.009 0.00 0.00 +0.015 A BRANCH 16 19 ATOM 19 N LIG 1 -8.747 1.946 2.020 0.00 0.00 -0.336 N ATOM 20 C LIG 1 -9.743 1.581 1.008 0.00 0.00 +0.129 C ATOM 21 C LIG 1 -9.108 1.578 3.389 0.00 0.00 +0.129 C ENDBRANCH 16 19 ENDBRANCH 8 13 BRANCH 12 22 ATOM 22 C LIG 1 2.369 -3.369 0.683 0.00 0.00 +0.251 C ATOM 23 N LIG 1 3.312 -2.997 -0.256 0.00 0.00 -0.308 N ATOM 24 H LIG 1 3.200 -2.106 -0.720 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 2.574 -4.324 1.430 0.00 0.00 -0.270 OA BRANCH 23 26 ATOM 26 C LIG 1 4.665 -3.508 -0.220 0.00 0.00 +0.137 C BRANCH 26 27 ATOM 27 C LIG 1 5.358 -3.548 -1.595 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 O LIG 1 6.755 -3.814 -1.435 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 6.835 -4.643 -0.930 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 5.168 -2.279 -2.468 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 N LIG 1 5.124 -0.995 -1.740 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 4.711 0.091 -2.655 0.00 0.00 +0.120 C ATOM 33 C LIG 1 4.689 1.446 -1.981 0.00 0.00 -0.030 A ATOM 34 C LIG 1 5.479 1.692 -0.843 0.00 0.00 -0.042 A ATOM 35 C LIG 1 5.458 2.956 -0.239 0.00 0.00 +0.004 A ATOM 36 C LIG 1 4.675 3.978 -0.775 0.00 0.00 +0.000 A ATOM 37 C LIG 1 3.908 3.744 -1.914 0.00 0.00 +0.000 A ATOM 38 C LIG 1 6.285 0.576 -0.231 0.00 0.00 +0.051 C ATOM 39 C LIG 1 3.916 2.486 -2.518 0.00 0.00 +0.005 A ATOM 40 C LIG 1 6.432 -0.641 -1.159 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 12 22 TORSDOF 8