REMARK Name = BDB051493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.829 -1.714 -0.982 0.00 0.00 +0.035 A ATOM 2 C LIG 1 3.239 -0.714 -0.210 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.855 -0.711 0.020 0.00 0.00 +0.012 A ATOM 4 C LIG 1 1.033 -1.707 -0.518 0.00 0.00 +0.002 A ATOM 5 C LIG 1 1.631 -2.708 -1.293 0.00 0.00 +0.012 A ATOM 6 C LIG 1 3.012 -2.711 -1.524 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -0.407 -1.734 -0.302 0.00 0.00 +0.090 A ATOM 8 N LIG 1 -1.219 -2.750 -0.798 0.00 0.00 -0.221 NA ATOM 9 C LIG 1 -2.415 -2.413 -0.400 0.00 0.00 +0.179 A ATOM 10 S LIG 1 -3.990 -3.116 -0.584 0.00 0.00 -0.049 S ATOM 11 C LIG 1 -4.663 -1.740 0.361 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -3.673 -0.831 0.763 0.00 0.00 +0.063 A ATOM 13 C LIG 1 -3.952 0.303 1.497 0.00 0.00 +0.031 A ATOM 14 C LIG 1 -5.292 0.517 1.831 0.00 0.00 +0.048 A ATOM 15 C LIG 1 -6.309 -0.380 1.437 0.00 0.00 +0.122 A ATOM 16 C LIG 1 -5.991 -1.524 0.696 0.00 0.00 +0.062 A ATOM 17 N LIG 1 -2.431 -1.254 0.312 0.00 0.00 -0.293 N ATOM 18 C LIG 1 -1.155 -0.791 0.395 0.00 0.00 +0.122 A BRANCH 15 19 ATOM 19 O LIG 1 -7.559 -0.009 1.850 0.00 0.00 -0.491 OA BRANCH 19 20 ATOM 20 C LIG 1 -8.692 -0.788 1.458 0.00 0.00 +0.244 C BRANCH 20 21 ATOM 21 C LIG 1 -9.190 -0.436 0.040 0.00 0.00 +0.125 C BRANCH 21 22 ATOM 22 N LIG 1 -9.621 0.963 -0.121 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 -10.901 1.277 0.548 0.00 0.00 +0.112 C ATOM 24 C LIG 1 -12.091 1.398 -0.419 0.00 0.00 +0.175 C ATOM 25 O LIG 1 -11.903 2.395 -1.431 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 -10.525 2.595 -1.774 0.00 0.00 +0.175 C ATOM 27 C LIG 1 -9.671 1.339 -1.550 0.00 0.00 +0.112 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 4 7 BRANCH 1 31 ATOM 28 N LIG 1 7.434 -1.317 -1.346 0.00 0.00 -0.251 N ATOM 29 H LIG 1 7.493 -2.028 -2.055 0.00 0.00 +0.158 HD ATOM 30 C LIG 1 6.219 -0.960 -0.800 0.00 0.00 +0.309 C ATOM 31 N LIG 1 5.209 -1.786 -1.268 0.00 0.00 -0.269 N ATOM 32 H LIG 1 5.496 -2.565 -1.840 0.00 0.00 +0.156 HD ATOM 33 O LIG 1 6.068 -0.038 -0.007 0.00 0.00 -0.252 OA BRANCH 28 37 ATOM 34 C LIG 1 10.299 0.538 -0.314 0.00 0.00 +0.144 A ATOM 35 O LIG 1 10.775 -0.342 -1.240 0.00 0.00 -0.357 OA ATOM 36 N LIG 1 9.740 -1.124 -1.713 0.00 0.00 -0.063 NA ATOM 37 C LIG 1 8.641 -0.711 -1.074 0.00 0.00 +0.169 A ATOM 38 C LIG 1 8.945 0.336 -0.178 0.00 0.00 +0.092 A BRANCH 34 40 ATOM 39 C LIG 1 12.397 0.657 1.020 0.00 0.00 +0.019 C ATOM 40 C LIG 1 11.304 1.471 0.305 0.00 0.00 +0.023 C ATOM 41 C LIG 1 11.947 2.341 -0.789 0.00 0.00 +0.019 C ATOM 42 C LIG 1 10.632 2.398 1.335 0.00 0.00 +0.019 C ENDBRANCH 34 40 ENDBRANCH 28 37 ENDBRANCH 1 31 TORSDOF 8