REMARK Name = BDB034050 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.751 1.479 -0.172 0.00 0.00 +0.096 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -0.853 3.360 -0.472 0.00 0.00 +0.213 C ATOM 3 N LIG 1 0.273 2.837 0.129 0.00 0.00 -0.311 N ATOM 4 H LIG 1 0.488 3.188 1.061 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -1.463 2.798 -1.376 0.00 0.00 -0.276 OA BRANCH 2 7 ATOM 6 C LIG 1 -2.500 5.267 -0.552 0.00 0.00 +0.013 C ATOM 7 C LIG 1 -1.250 4.707 0.102 0.00 0.00 +0.092 C ENDBRANCH 2 7 ENDBRANCH 1 3 BRANCH 1 8 ATOM 8 C LIG 1 2.208 1.548 -0.654 0.00 0.00 +0.086 C BRANCH 8 9 ATOM 9 C LIG 1 2.655 0.265 -1.281 0.00 0.00 +0.081 A ATOM 10 S LIG 1 2.732 0.110 -2.990 0.00 0.00 -0.072 S ATOM 11 C LIG 1 3.280 -1.513 -2.820 0.00 0.00 +0.039 A ATOM 12 C LIG 1 3.365 -1.823 -1.462 0.00 0.00 +0.078 A ATOM 13 C LIG 1 3.794 -3.112 -1.089 0.00 0.00 +0.029 A ATOM 14 C LIG 1 4.118 -4.051 -2.077 0.00 0.00 +0.006 A ATOM 15 C LIG 1 4.033 -3.732 -3.439 0.00 0.00 -0.044 A ATOM 16 C LIG 1 3.607 -2.446 -3.821 0.00 0.00 +0.021 A ATOM 17 N LIG 1 3.006 -0.801 -0.595 0.00 0.00 -0.244 NA BRANCH 15 18 ATOM 18 C LIG 1 4.378 -4.749 -4.516 0.00 0.00 +0.013 C ATOM 19 C LIG 1 3.370 -5.902 -4.530 0.00 0.00 +0.012 C ATOM 20 C LIG 1 5.808 -5.274 -4.377 0.00 0.00 +0.012 C ENDBRANCH 15 18 ENDBRANCH 8 9 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 0.600 0.555 1.063 0.00 0.00 +0.126 C BRANCH 21 22 ATOM 22 N LIG 1 -0.750 0.549 1.616 0.00 0.00 -0.313 N ATOM 23 H LIG 1 -1.425 -0.035 1.145 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 -1.193 1.534 2.472 0.00 0.00 +0.220 C ATOM 25 O LIG 1 -0.436 2.430 2.851 0.00 0.00 -0.275 OA BRANCH 24 26 ATOM 26 C LIG 1 -2.679 1.446 2.902 0.00 0.00 +0.059 C ATOM 27 C LIG 1 -3.571 1.658 1.646 0.00 0.00 +0.017 C ATOM 28 C LIG 1 -4.979 1.096 1.832 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -4.977 -0.409 2.097 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -3.656 -0.936 2.651 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -2.974 0.073 3.575 0.00 0.00 +0.017 C BRANCH 26 32 ATOM 32 C LIG 1 -2.977 2.599 3.914 0.00 0.00 +0.093 C BRANCH 32 33 ATOM 33 N LIG 1 -2.227 2.561 5.171 0.00 0.00 -0.329 NA ATOM 34 H LIG 1 -1.235 2.692 4.947 0.00 0.00 +0.118 HD ATOM 35 H LIG 1 -2.293 1.644 5.606 0.00 0.00 +0.118 HD ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 24 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 10