REMARK Name = BDB015563 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.938 0.312 0.178 0.00 0.00 +0.145 A ATOM 2 N LIG 1 0.582 1.385 -0.528 0.00 0.00 -0.178 NA ATOM 3 C LIG 1 -0.737 1.557 -0.688 0.00 0.00 +0.326 A ATOM 4 N LIG 1 -1.686 0.764 -0.173 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.275 -0.295 0.555 0.00 0.00 +0.081 A ATOM 6 C LIG 1 0.060 -0.549 0.785 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.353 -1.140 1.127 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.206 -2.477 1.195 0.00 0.00 +0.098 A ATOM 9 N LIG 1 -3.188 -3.306 1.715 0.00 0.00 -0.317 N ATOM 10 C LIG 1 -2.933 -4.738 1.753 0.00 0.00 +0.152 C ATOM 11 C LIG 1 -4.403 -2.821 2.197 0.00 0.00 +0.254 A ATOM 12 O LIG 1 -5.288 -3.526 2.677 0.00 0.00 -0.267 OA ATOM 13 C LIG 1 -4.598 -1.339 2.096 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -5.907 -0.796 2.574 0.00 0.00 +0.049 C ATOM 15 C LIG 1 -3.616 -0.580 1.586 0.00 0.00 +0.020 A ENDBRANCH 5 7 BRANCH 1 16 ATOM 16 N LIG 1 2.349 0.232 0.310 0.00 0.00 -0.204 N ATOM 17 H LIG 1 2.717 1.021 -0.229 0.00 0.00 +0.175 HD BRANCH 16 18 ATOM 18 S LIG 1 3.034 -1.206 -0.271 0.00 0.00 +0.044 S ATOM 19 O LIG 1 2.987 -1.138 -1.714 0.00 0.00 -0.155 OA ATOM 20 O LIG 1 2.457 -2.316 0.456 0.00 0.00 -0.155 OA BRANCH 18 21 ATOM 21 C LIG 1 4.726 -0.987 0.265 0.00 0.00 +0.188 C BRANCH 21 23 ATOM 22 C LIG 1 5.487 -3.420 0.310 0.00 0.00 +0.005 C ATOM 23 C LIG 1 5.677 -2.039 -0.296 0.00 0.00 +0.021 C ENDBRANCH 21 23 ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 3 24 ATOM 24 O LIG 1 -1.217 2.646 -1.405 0.00 0.00 -0.422 OA BRANCH 24 25 ATOM 25 C LIG 1 -0.291 3.461 -2.002 0.00 0.00 +0.153 A ATOM 26 C LIG 1 -0.226 4.808 -1.631 0.00 0.00 -0.005 A ATOM 27 C LIG 1 -1.111 5.361 -0.553 0.00 0.00 +0.047 C ATOM 28 C LIG 1 0.693 5.631 -2.290 0.00 0.00 +0.026 A ATOM 29 C LIG 1 1.486 5.085 -3.290 0.00 0.00 +0.111 A ATOM 30 N LIG 1 1.426 3.793 -3.678 0.00 0.00 -0.260 NA ATOM 31 C LIG 1 0.529 3.011 -3.032 0.00 0.00 +0.157 A ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 7