REMARK Name = BDB063433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.285 0.366 0.885 0.00 0.00 +0.073 A ATOM 2 S LIG 1 0.487 0.206 2.581 0.00 0.00 -0.073 S ATOM 3 C LIG 1 2.182 -0.041 2.458 0.00 0.00 +0.021 A ATOM 4 C LIG 1 2.603 -0.003 1.132 0.00 0.00 -0.008 A ATOM 5 C LIG 1 3.981 -0.190 0.862 0.00 0.00 +0.020 A ATOM 6 C LIG 1 4.909 -0.414 1.894 0.00 0.00 +0.018 A ATOM 7 C LIG 1 4.447 -0.441 3.212 0.00 0.00 +0.012 A ATOM 8 C LIG 1 3.090 -0.258 3.511 0.00 0.00 +0.016 A ATOM 9 C LIG 1 1.500 0.232 0.245 0.00 0.00 +0.039 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 6.323 -0.603 1.546 0.00 0.00 +0.139 A ATOM 11 N LIG 1 7.290 -1.057 2.413 0.00 0.00 -0.338 N ATOM 12 H LIG 1 7.139 -1.319 3.374 0.00 0.00 +0.167 HD ATOM 13 C LIG 1 8.492 -1.111 1.754 0.00 0.00 +0.067 A ATOM 14 C LIG 1 8.196 -0.701 0.457 0.00 0.00 +0.102 A ATOM 15 C LIG 1 9.239 -0.652 -0.485 0.00 0.00 +0.064 A ATOM 16 C LIG 1 10.540 -1.013 -0.086 0.00 0.00 +0.015 A ATOM 17 C LIG 1 10.796 -1.419 1.226 0.00 0.00 +0.003 A ATOM 18 C LIG 1 9.773 -1.479 2.177 0.00 0.00 +0.028 A ATOM 19 N LIG 1 6.861 -0.380 0.361 0.00 0.00 -0.227 NA BRANCH 15 20 ATOM 20 C LIG 1 8.976 -0.244 -1.878 0.00 0.00 +0.244 C ATOM 21 O LIG 1 8.039 -0.674 -2.535 0.00 0.00 -0.270 OA ATOM 22 N LIG 1 9.865 0.650 -2.416 0.00 0.00 -0.325 N ATOM 23 H LIG 1 10.457 1.213 -1.822 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 9.595 1.038 -3.311 0.00 0.00 +0.145 HD ENDBRANCH 15 20 ENDBRANCH 6 10 BRANCH 1 25 ATOM 25 N LIG 1 -0.952 0.591 0.392 0.00 0.00 -0.278 N ATOM 26 H LIG 1 -1.748 0.663 1.012 0.00 0.00 +0.156 HD BRANCH 25 29 ATOM 27 C LIG 1 -3.212 1.121 -2.296 0.00 0.00 +0.130 A ATOM 28 N LIG 1 -2.703 0.954 -1.059 0.00 0.00 -0.199 NA ATOM 29 C LIG 1 -1.385 0.748 -0.922 0.00 0.00 +0.222 A ATOM 30 N LIG 1 -0.540 0.694 -1.961 0.00 0.00 -0.223 NA ATOM 31 C LIG 1 -1.065 0.847 -3.186 0.00 0.00 +0.118 A ATOM 32 C LIG 1 -2.399 1.064 -3.412 0.00 0.00 +0.064 A BRANCH 27 33 ATOM 33 N LIG 1 -4.613 1.329 -2.462 0.00 0.00 -0.288 N ATOM 34 C LIG 1 -4.881 2.678 -2.977 0.00 0.00 +0.137 C BRANCH 33 42 ATOM 35 C LIG 1 -8.671 -2.183 1.653 0.00 0.00 +0.066 C ATOM 36 C LIG 1 -8.385 -0.926 0.921 0.00 0.00 +0.044 A ATOM 37 N LIG 1 -9.210 0.174 0.963 0.00 0.00 -0.270 N ATOM 38 C LIG 1 -10.450 0.298 1.696 0.00 0.00 +0.172 C ATOM 39 N LIG 1 -8.788 1.218 0.222 0.00 0.00 -0.171 NA ATOM 40 C LIG 1 -7.629 0.811 -0.321 0.00 0.00 +0.095 A ATOM 41 C LIG 1 -6.750 1.499 -1.179 0.00 0.00 +0.053 A ATOM 42 C LIG 1 -5.591 0.777 -1.571 0.00 0.00 +0.037 A ATOM 43 C LIG 1 -5.390 -0.582 -1.109 0.00 0.00 +0.024 A ATOM 44 C LIG 1 -6.252 -1.301 -0.249 0.00 0.00 +0.013 A ATOM 45 C LIG 1 -7.353 -0.534 0.103 0.00 0.00 +0.023 A ENDBRANCH 33 42 ENDBRANCH 27 33 ENDBRANCH 25 29 ENDBRANCH 1 25 TORSDOF 6