REMARK Name = BDB053466 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.304 -0.267 -0.179 0.00 0.00 +0.167 A ATOM 2 C LIG 1 -0.024 -0.748 -0.546 0.00 0.00 +0.179 A ATOM 3 N LIG 1 -1.146 -0.086 -0.110 0.00 0.00 -0.295 N ATOM 4 C LIG 1 -2.225 -0.775 -0.616 0.00 0.00 +0.076 A ATOM 5 C LIG 1 -1.669 -1.821 -1.334 0.00 0.00 +0.140 A ATOM 6 C LIG 1 -1.000 1.039 0.679 0.00 0.00 +0.113 A ATOM 7 C LIG 1 0.242 1.443 0.990 0.00 0.00 +0.131 A ATOM 8 N LIG 1 -0.297 -1.800 -1.288 0.00 0.00 -0.232 NA ATOM 9 N LIG 1 1.395 0.808 0.574 0.00 0.00 -0.235 NA ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -3.745 -0.510 -0.466 0.00 0.00 +0.038 A ATOM 11 C LIG 1 -4.372 0.499 0.224 0.00 0.00 +0.118 A ATOM 12 N LIG 1 -5.715 0.298 0.052 0.00 0.00 -0.274 N ATOM 13 C LIG 1 -6.790 1.098 0.587 0.00 0.00 +0.172 C ATOM 14 N LIG 1 -6.003 -0.775 -0.704 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 -4.802 -1.266 -1.019 0.00 0.00 +0.144 A ENDBRANCH 4 10 BRANCH 1 16 ATOM 16 N LIG 1 2.403 -0.966 -0.643 0.00 0.00 -0.291 N ATOM 17 H LIG 1 2.140 -1.770 -1.210 0.00 0.00 +0.154 HD BRANCH 16 21 ATOM 18 C LIG 1 6.773 1.034 0.855 0.00 0.00 +0.044 C ATOM 19 C LIG 1 5.828 0.099 0.182 0.00 0.00 -0.042 A ATOM 20 C LIG 1 4.399 0.221 0.233 0.00 0.00 +0.034 A ATOM 21 C LIG 1 3.732 -0.763 -0.469 0.00 0.00 +0.071 A ATOM 22 S LIG 1 4.850 -1.843 -1.198 0.00 0.00 -0.082 S ATOM 23 C LIG 1 6.194 -0.995 -0.576 0.00 0.00 +0.050 A ENDBRANCH 16 21 ENDBRANCH 1 16 TORSDOF 3