REMARK Name = BDB013635 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.010 -1.695 -4.101 0.00 0.00 +0.044 C ATOM 2 C LIG 1 0.083 -1.792 -2.918 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.529 -1.578 -1.598 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.393 -1.671 -0.534 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -1.749 -1.954 -0.757 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -2.177 -2.132 -2.080 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -1.275 -2.054 -3.143 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.977 -1.242 -1.285 0.00 0.00 +0.144 C BRANCH 8 9 ATOM 9 N LIG 1 2.445 0.045 -1.852 0.00 0.00 -0.171 NA ATOM 10 S LIG 1 4.129 0.285 -1.796 0.00 0.00 +0.063 S ATOM 11 O LIG 1 4.455 1.554 -2.411 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 4.730 -0.938 -2.296 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 4.493 0.379 -0.056 0.00 0.00 +0.126 A ATOM 14 C LIG 1 3.907 1.364 0.758 0.00 0.00 +0.056 A ATOM 15 C LIG 1 4.301 1.381 2.111 0.00 0.00 +0.025 A ATOM 16 C LIG 1 5.220 0.461 2.629 0.00 0.00 +0.002 A ATOM 17 C LIG 1 5.778 -0.505 1.804 0.00 0.00 +0.002 A ATOM 18 N LIG 1 2.969 2.278 0.270 0.00 0.00 -0.330 N ATOM 19 C LIG 1 2.925 3.612 0.865 0.00 0.00 +0.129 C ATOM 20 C LIG 1 1.666 1.694 -0.090 0.00 0.00 +0.122 C ATOM 21 C LIG 1 5.419 -0.547 0.461 0.00 0.00 +0.030 A ATOM 22 C LIG 1 1.617 1.244 -1.555 0.00 0.00 +0.128 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 23 ATOM 23 C LIG 1 -2.781 -2.044 0.371 0.00 0.00 +0.060 C BRANCH 23 24 ATOM 24 C LIG 1 -3.550 -0.734 0.533 0.00 0.00 -0.033 A ATOM 25 C LIG 1 -4.881 -0.672 0.340 0.00 0.00 +0.074 A ATOM 26 C LIG 1 -5.631 0.604 0.498 0.00 0.00 +0.251 A ATOM 27 O LIG 1 -6.843 0.613 0.302 0.00 0.00 -0.268 OA ATOM 28 N LIG 1 -4.872 1.711 0.867 0.00 0.00 -0.318 N ATOM 29 C LIG 1 -5.528 2.997 1.038 0.00 0.00 +0.152 C ATOM 30 C LIG 1 -3.506 1.633 1.060 0.00 0.00 +0.089 A ATOM 31 C LIG 1 -2.845 0.479 0.908 0.00 0.00 +0.022 A ENDBRANCH 23 24 BRANCH 23 32 ATOM 32 C LIG 1 -2.199 -2.550 1.705 0.00 0.00 +0.133 C BRANCH 32 33 ATOM 33 C LIG 1 -3.286 -2.968 2.656 0.00 0.00 +0.306 C ATOM 34 O LIG 1 -4.375 -3.434 2.370 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -2.920 -2.822 3.944 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -3.696 -3.142 4.452 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 23 32 ENDBRANCH 5 23 TORSDOF 7