REMARK Name = BDB061582 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.316 0.285 0.793 0.00 0.00 +0.094 A ATOM 2 C LIG 1 -0.912 1.370 1.552 0.00 0.00 +0.110 A ATOM 3 C LIG 1 0.442 1.423 1.840 0.00 0.00 +0.127 A ATOM 4 N LIG 1 1.325 0.483 1.436 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 0.848 -0.514 0.687 0.00 0.00 +0.190 A ATOM 6 N LIG 1 -0.441 -0.650 0.351 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -5.065 -0.314 0.887 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -5.339 -0.506 -0.472 0.00 0.00 +0.204 A ATOM 9 C LIG 1 -4.315 -0.394 -1.427 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -3.010 -0.132 -0.995 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -2.706 0.030 0.372 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -3.751 -0.084 1.302 0.00 0.00 +0.059 A BRANCH 7 14 ATOM 13 C LIG 1 -7.165 0.375 1.662 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -5.987 -0.395 1.898 0.00 0.00 -0.491 OA ENDBRANCH 7 14 BRANCH 8 15 ATOM 15 O LIG 1 -6.621 -0.780 -0.887 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -6.810 -2.194 -0.961 0.00 0.00 +0.277 C ENDBRANCH 8 15 BRANCH 9 17 ATOM 17 O LIG 1 -4.686 -0.568 -2.736 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -3.677 -0.436 -3.729 0.00 0.00 +0.277 C ENDBRANCH 9 17 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 C LIG 1 -1.818 2.381 1.990 0.00 0.00 +0.104 C ATOM 20 N LIG 1 -2.540 3.202 2.378 0.00 0.00 -0.191 NA ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 S LIG 1 1.182 2.743 2.799 0.00 0.00 -0.027 S BRANCH 21 22 ATOM 22 C LIG 1 1.408 3.879 1.518 0.00 0.00 +0.215 A ATOM 23 N LIG 1 2.045 5.075 1.669 0.00 0.00 -0.223 N ATOM 24 C LIG 1 2.647 5.660 2.833 0.00 0.00 +0.177 C ATOM 25 N LIG 1 2.056 5.726 0.492 0.00 0.00 -0.043 NA ATOM 26 N LIG 1 1.420 4.926 -0.354 0.00 0.00 -0.022 NA ATOM 27 N LIG 1 1.008 3.773 0.270 0.00 0.00 -0.101 NA ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 5 28 ATOM 28 S LIG 1 1.955 -1.765 0.104 0.00 0.00 -0.081 S BRANCH 28 29 ATOM 29 C LIG 1 3.530 -0.871 0.245 0.00 0.00 +0.112 C BRANCH 29 30 ATOM 30 C LIG 1 4.676 -1.681 -0.310 0.00 0.00 -0.037 A ATOM 31 C LIG 1 5.377 -2.579 0.507 0.00 0.00 +0.005 A ATOM 32 C LIG 1 6.431 -3.335 -0.010 0.00 0.00 +0.003 A ATOM 33 C LIG 1 6.808 -3.205 -1.351 0.00 0.00 -0.050 A ATOM 34 C LIG 1 7.917 -4.043 -1.915 0.00 0.00 +0.044 C ATOM 35 C LIG 1 6.095 -2.327 -2.175 0.00 0.00 +0.003 A ATOM 36 C LIG 1 5.040 -1.570 -1.659 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 10