REMARK Name = BDB033010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.259 1.402 -0.570 0.00 0.00 +0.047 A ATOM 2 C LIG 1 -0.980 0.668 0.396 0.00 0.00 +0.058 A ATOM 3 C LIG 1 -0.305 0.113 1.493 0.00 0.00 +0.017 A ATOM 4 C LIG 1 1.083 0.232 1.606 0.00 0.00 +0.024 A ATOM 5 C LIG 1 1.831 0.889 0.627 0.00 0.00 +0.029 A ATOM 6 C LIG 1 1.134 1.499 -0.432 0.00 0.00 +0.047 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -1.529 3.304 -3.584 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -0.447 2.702 -2.722 0.00 0.00 +0.214 C ATOM 9 N LIG 1 -0.960 2.034 -1.629 0.00 0.00 -0.285 N ATOM 10 H LIG 1 -1.978 2.005 -1.543 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 0.733 2.799 -3.038 0.00 0.00 -0.276 OA ENDBRANCH 1 9 BRANCH 2 12 ATOM 12 C LIG 1 -2.463 0.488 0.270 0.00 0.00 +0.251 C ATOM 13 N LIG 1 -2.949 -0.709 0.747 0.00 0.00 -0.261 N ATOM 14 H LIG 1 -2.311 -1.435 1.044 0.00 0.00 +0.157 HD ATOM 15 O LIG 1 -3.112 1.371 -0.282 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.257 -1.118 0.775 0.00 0.00 +0.167 A ATOM 17 S LIG 1 -5.560 -0.123 0.324 0.00 0.00 -0.028 S ATOM 18 C LIG 1 -6.637 -1.392 0.683 0.00 0.00 +0.187 A ATOM 19 C LIG 1 -5.951 -2.504 1.136 0.00 0.00 +0.078 A ATOM 20 C LIG 1 -6.494 -3.823 1.559 0.00 0.00 +0.068 C ATOM 21 N LIG 1 -4.571 -2.324 1.187 0.00 0.00 -0.227 NA BRANCH 18 22 ATOM 22 N LIG 1 -8.049 -1.222 0.510 0.00 0.00 +0.065 N ATOM 23 O LIG 1 -8.451 -0.188 -0.039 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 -8.775 -2.134 0.925 0.00 0.00 -0.126 OA ENDBRANCH 18 22 ENDBRANCH 13 16 ENDBRANCH 2 12 BRANCH 5 25 ATOM 25 N LIG 1 3.211 1.100 0.721 0.00 0.00 -0.344 N ATOM 26 H LIG 1 3.617 1.276 -0.197 0.00 0.00 +0.146 HD BRANCH 25 27 ATOM 27 C LIG 1 4.028 0.240 1.568 0.00 0.00 +0.101 C BRANCH 27 28 ATOM 28 C LIG 1 5.508 0.623 1.469 0.00 0.00 +0.020 C BRANCH 28 29 ATOM 29 C LIG 1 6.167 0.390 0.103 0.00 0.00 +0.016 C BRANCH 29 30 ATOM 30 C LIG 1 6.127 -1.069 -0.350 0.00 0.00 +0.078 C BRANCH 30 31 ATOM 31 N LIG 1 6.854 -1.223 -1.604 0.00 0.00 -0.330 NA ATOM 32 H LIG 1 6.862 -2.205 -1.877 0.00 0.00 +0.118 HD ATOM 33 H LIG 1 7.829 -0.953 -1.478 0.00 0.00 +0.118 HD ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 TORSDOF 10