REMARK Name = BDB058314 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.200 1.333 -1.491 0.00 0.00 +0.141 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.960 1.691 -0.241 0.00 0.00 +0.098 C ATOM 3 N LIG 1 -1.055 0.877 -0.901 0.00 0.00 -0.310 N ATOM 4 C LIG 1 -1.497 -0.445 -1.332 0.00 0.00 +0.139 C ATOM 5 C LIG 1 -2.674 -0.932 -0.534 0.00 0.00 -0.025 C ATOM 6 C LIG 1 -3.350 -0.073 0.255 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -4.465 -0.470 1.185 0.00 0.00 +0.065 C ATOM 8 N LIG 1 -3.062 1.267 0.302 0.00 0.00 -0.242 NA BRANCH 2 9 ATOM 9 C LIG 1 -1.720 3.192 -0.082 0.00 0.00 +0.071 C BRANCH 9 10 ATOM 10 C LIG 1 -0.780 3.530 1.076 0.00 0.00 +0.007 C BRANCH 10 12 ATOM 11 C LIG 1 -2.562 3.791 2.889 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -1.271 3.108 2.464 0.00 0.00 -0.003 C ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 5 13 ATOM 13 C LIG 1 -2.955 -2.412 -0.711 0.00 0.00 +0.092 C BRANCH 13 14 ATOM 14 C LIG 1 -4.430 -2.864 -0.850 0.00 0.00 +0.055 C ATOM 15 S LIG 1 -4.928 -4.169 0.108 0.00 0.00 -0.040 S BRANCH 14 16 ATOM 16 N LIG 1 -5.248 -2.230 -1.788 0.00 0.00 -0.333 N ATOM 17 C LIG 1 -6.703 -2.384 -1.796 0.00 0.00 +0.129 C ATOM 18 C LIG 1 -4.726 -1.412 -2.876 0.00 0.00 +0.129 C ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 5 13 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 1.395 0.570 -0.946 0.00 0.00 -0.030 A ATOM 20 C LIG 1 2.432 0.185 -1.805 0.00 0.00 +0.006 A ATOM 21 C LIG 1 3.549 -0.496 -1.312 0.00 0.00 +0.009 A ATOM 22 C LIG 1 3.666 -0.792 0.054 0.00 0.00 -0.017 A ATOM 23 C LIG 1 2.627 -0.406 0.913 0.00 0.00 +0.009 A ATOM 24 C LIG 1 1.510 0.275 0.420 0.00 0.00 +0.006 A BRANCH 22 25 ATOM 25 C LIG 1 4.857 -1.479 0.578 0.00 0.00 -0.007 A ATOM 26 C LIG 1 6.141 -0.880 0.637 0.00 0.00 +0.028 A ATOM 27 C LIG 1 7.227 -1.649 1.102 0.00 0.00 +0.012 A ATOM 28 C LIG 1 7.059 -2.967 1.524 0.00 0.00 +0.001 A ATOM 29 C LIG 1 5.799 -3.549 1.485 0.00 0.00 +0.001 A ATOM 30 C LIG 1 4.711 -2.813 1.014 0.00 0.00 +0.009 A BRANCH 26 31 ATOM 31 C LIG 1 6.424 0.504 0.245 0.00 0.00 +0.180 A ATOM 32 N LIG 1 5.554 1.560 0.319 0.00 0.00 -0.239 N ATOM 33 H LIG 1 4.591 1.587 0.627 0.00 0.00 +0.192 HD ATOM 34 N LIG 1 6.144 2.688 -0.099 0.00 0.00 -0.046 NA ATOM 35 N LIG 1 7.379 2.331 -0.411 0.00 0.00 -0.023 NA ATOM 36 N LIG 1 7.572 0.989 -0.195 0.00 0.00 -0.108 NA ENDBRANCH 26 31 ENDBRANCH 22 25 ENDBRANCH 1 19 TORSDOF 10