REMARK Name = BDB064153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.341 -0.786 -2.620 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -2.366 0.036 -1.978 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -2.317 0.297 -0.629 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -1.369 -0.103 0.063 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -3.499 0.227 -2.870 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -2.986 -0.173 -4.251 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -1.978 -1.265 -3.921 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 0.806 0.054 -1.827 0.00 0.00 -0.310 N ATOM 9 H LIG 1 0.430 -0.217 -0.918 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 -0.100 0.090 -2.869 0.00 0.00 +0.234 C ATOM 11 O LIG 1 0.028 0.817 -3.853 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 1.974 0.904 -1.826 0.00 0.00 +0.140 C BRANCH 12 19 ATOM 13 C LIG 1 5.280 -1.111 0.115 0.00 0.00 -0.002 A ATOM 14 C LIG 1 4.768 0.063 0.735 0.00 0.00 -0.009 A ATOM 15 C LIG 1 3.664 0.747 0.141 0.00 0.00 -0.013 A ATOM 16 C LIG 1 3.167 1.897 0.803 0.00 0.00 +0.009 A ATOM 17 C LIG 1 3.728 2.375 1.992 0.00 0.00 +0.001 A ATOM 18 C LIG 1 4.814 1.722 2.553 0.00 0.00 +0.001 A ATOM 19 C LIG 1 3.114 0.249 -1.074 0.00 0.00 -0.023 A ATOM 20 C LIG 1 3.648 -0.913 -1.658 0.00 0.00 +0.006 A ATOM 21 C LIG 1 5.327 0.587 1.931 0.00 0.00 +0.009 A ATOM 22 C LIG 1 4.713 -1.585 -1.076 0.00 0.00 +0.010 A BRANCH 13 25 ATOM 23 C LIG 1 5.137 -3.232 2.529 0.00 0.00 +0.067 C ATOM 24 C LIG 1 6.331 -2.828 1.738 0.00 0.00 +0.053 A ATOM 25 C LIG 1 6.365 -1.904 0.702 0.00 0.00 +0.042 A ATOM 26 S LIG 1 7.963 -1.781 0.085 0.00 0.00 -0.075 S ATOM 27 C LIG 1 8.468 -2.972 1.203 0.00 0.00 +0.156 A ATOM 28 N LIG 1 7.552 -3.416 2.034 0.00 0.00 -0.252 NA ENDBRANCH 13 25 ENDBRANCH 12 19 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 29 ATOM 29 O LIG 1 -4.011 -0.685 -5.084 0.00 0.00 -0.390 OA ATOM 30 H LIG 1 -4.542 0.067 -5.399 0.00 0.00 +0.210 HD ENDBRANCH 6 29 BRANCH 3 31 ATOM 31 C LIG 1 -3.466 1.128 0.005 0.00 0.00 +0.164 C BRANCH 31 32 ATOM 32 C LIG 1 -3.095 2.635 0.212 0.00 0.00 -0.011 C ATOM 33 C LIG 1 -1.918 2.841 1.187 0.00 0.00 +0.013 C ATOM 34 C LIG 1 -2.712 3.301 -1.123 0.00 0.00 +0.013 C ATOM 35 C LIG 1 -4.323 3.381 0.777 0.00 0.00 +0.013 C ENDBRANCH 31 32 BRANCH 31 36 ATOM 36 N LIG 1 -3.786 0.463 1.270 0.00 0.00 -0.302 N ATOM 37 H LIG 1 -3.116 0.575 2.020 0.00 0.00 +0.150 HD ATOM 38 C LIG 1 -4.520 -0.705 1.275 0.00 0.00 +0.234 C ATOM 39 O LIG 1 -5.098 -1.151 0.294 0.00 0.00 -0.274 OA BRANCH 38 40 ATOM 40 C LIG 1 -4.547 -1.439 2.578 0.00 0.00 +0.133 C ATOM 41 C LIG 1 -3.238 -1.738 3.300 0.00 0.00 +0.033 C ATOM 42 C LIG 1 -3.973 -2.850 2.619 0.00 0.00 +0.033 C BRANCH 40 43 ATOM 43 C LIG 1 -5.714 -1.178 3.380 0.00 0.00 +0.079 C ATOM 44 N LIG 1 -6.638 -0.956 4.045 0.00 0.00 -0.195 NA ENDBRANCH 40 43 ENDBRANCH 38 40 ENDBRANCH 31 36 ENDBRANCH 3 31 TORSDOF 10