REMARK Name = BDB065004 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.190 -0.729 -1.317 0.00 0.00 -0.311 N ATOM 2 C LIG 1 -0.978 -2.032 -0.760 0.00 0.00 +0.057 A ATOM 3 C LIG 1 -1.556 -2.371 0.457 0.00 0.00 +0.063 A ATOM 4 C LIG 1 -1.340 -3.634 1.041 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -0.535 -4.575 0.410 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.050 -4.257 -0.806 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -2.446 -1.422 1.132 0.00 0.00 +0.267 A ATOM 8 O LIG 1 -3.027 -1.818 2.143 0.00 0.00 -0.267 OA ATOM 9 N LIG 1 -2.579 -0.149 0.560 0.00 0.00 -0.256 N ATOM 10 C LIG 1 -0.170 -3.002 -1.386 0.00 0.00 +0.026 A ATOM 11 C LIG 1 -1.881 0.280 -0.600 0.00 0.00 +0.169 A ATOM 12 S LIG 1 -1.753 1.916 -1.062 0.00 0.00 -0.012 S ENDROOT BRANCH 9 13 ATOM 13 C LIG 1 -3.520 0.728 1.223 0.00 0.00 +0.052 A ATOM 14 C LIG 1 -4.566 1.332 0.507 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -5.483 2.167 1.153 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.372 2.399 2.521 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -4.351 1.791 3.248 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -3.434 0.956 2.605 0.00 0.00 +0.026 A ENDBRANCH 9 13 BRANCH 1 19 ATOM 19 C LIG 1 -0.652 -0.480 -2.687 0.00 0.00 +0.220 C BRANCH 19 21 ATOM 20 O LIG 1 1.437 -0.349 -3.853 0.00 0.00 -0.274 OA ATOM 21 C LIG 1 0.861 -0.205 -2.777 0.00 0.00 +0.237 C ATOM 22 N LIG 1 1.419 0.255 -1.600 0.00 0.00 -0.283 N ATOM 23 H LIG 1 0.758 0.409 -0.854 0.00 0.00 +0.155 HD BRANCH 22 24 ATOM 24 C LIG 1 2.774 0.560 -1.315 0.00 0.00 +0.041 A ATOM 25 C LIG 1 3.121 1.075 -0.022 0.00 0.00 +0.003 A ATOM 26 C LIG 1 4.488 1.351 0.252 0.00 0.00 -0.016 A ATOM 27 C LIG 1 4.880 1.853 1.504 0.00 0.00 +0.008 A ATOM 28 C LIG 1 3.946 2.096 2.507 0.00 0.00 +0.001 A ATOM 29 C LIG 1 2.605 1.841 2.268 0.00 0.00 +0.001 A ATOM 30 C LIG 1 5.462 1.126 -0.729 0.00 0.00 +0.008 A ATOM 31 C LIG 1 5.112 0.631 -1.978 0.00 0.00 +0.002 A ATOM 32 C LIG 1 2.199 1.341 1.027 0.00 0.00 +0.010 A ATOM 33 C LIG 1 3.780 0.349 -2.267 0.00 0.00 +0.024 A ENDBRANCH 22 24 ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 4