REMARK Name = BDB048223 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.208 -1.748 -1.440 0.00 0.00 +0.002 A ATOM 2 C LIG 1 -1.202 -0.871 -0.965 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -2.385 -1.378 -0.383 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -2.509 -2.764 -0.263 0.00 0.00 +0.048 A ATOM 5 N LIG 1 -3.719 -3.014 0.342 0.00 0.00 -0.354 N ATOM 6 H LIG 1 -4.069 -3.941 0.549 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -4.403 -1.848 0.581 0.00 0.00 +0.052 A ATOM 8 C LIG 1 -5.672 -1.632 1.145 0.00 0.00 -0.020 A ATOM 9 C LIG 1 -6.666 -2.605 1.715 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -7.947 -1.755 1.721 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -7.512 -0.294 1.897 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -6.155 -0.321 1.271 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -5.365 0.725 0.872 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -5.591 2.168 0.912 0.00 0.00 +0.260 A ATOM 15 O LIG 1 -6.602 2.723 1.291 0.00 0.00 -0.267 OA ATOM 16 N LIG 1 -4.461 2.740 0.419 0.00 0.00 -0.289 N ATOM 17 H LIG 1 -4.352 3.734 0.278 0.00 0.00 +0.172 HD ATOM 18 C LIG 1 -3.552 1.818 -0.007 0.00 0.00 +0.260 A ATOM 19 O LIG 1 -2.500 2.054 -0.564 0.00 0.00 -0.267 OA ATOM 20 C LIG 1 -4.108 0.505 0.315 0.00 0.00 +0.062 A ATOM 21 C LIG 1 -1.524 -3.661 -0.707 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -3.585 -0.790 0.143 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -0.376 -3.130 -1.305 0.00 0.00 +0.012 A ENDROOT BRANCH 1 27 ATOM 24 C LIG 1 2.607 0.289 -2.337 0.00 0.00 +0.096 A ATOM 25 S LIG 1 2.815 -0.667 -3.755 0.00 0.00 -0.078 S ATOM 26 C LIG 1 1.494 -1.653 -3.274 0.00 0.00 +0.075 A ATOM 27 C LIG 1 0.974 -1.188 -2.081 0.00 0.00 +0.078 A ATOM 28 N LIG 1 1.631 -0.094 -1.537 0.00 0.00 -0.242 NA BRANCH 24 29 ATOM 29 C LIG 1 3.517 1.446 -2.058 0.00 0.00 +0.167 C BRANCH 29 31 ATOM 30 C LIG 1 5.753 1.815 -1.142 0.00 0.00 +0.214 C ATOM 31 N LIG 1 4.684 0.978 -1.334 0.00 0.00 -0.309 N ATOM 32 H LIG 1 4.549 0.199 -0.686 0.00 0.00 +0.149 HD ATOM 33 O LIG 1 5.837 2.922 -1.675 0.00 0.00 -0.276 OA BRANCH 30 34 ATOM 34 C LIG 1 6.855 1.205 -0.290 0.00 0.00 +0.098 C BRANCH 34 36 ATOM 35 C LIG 1 9.026 1.653 0.903 0.00 0.00 +0.008 C ATOM 36 C LIG 1 7.713 2.271 0.418 0.00 0.00 -0.008 C ATOM 37 C LIG 1 6.954 2.893 1.604 0.00 0.00 +0.008 C ENDBRANCH 34 36 ENDBRANCH 30 34 ENDBRANCH 29 31 ENDBRANCH 24 29 ENDBRANCH 1 27 TORSDOF 5