REMARK Name = BDB063138 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.001 -0.609 0.329 0.00 0.00 -0.268 N ATOM 2 H LIG 1 1.363 -0.541 1.267 0.00 0.00 +0.156 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.991 -0.475 -0.626 0.00 0.00 +0.221 A ATOM 4 N LIG 1 3.231 -0.272 -0.146 0.00 0.00 -0.211 NA ATOM 5 C LIG 1 4.261 -0.139 -1.022 0.00 0.00 +0.111 A ATOM 6 C LIG 1 4.049 -0.197 -2.384 0.00 0.00 +0.167 A ATOM 7 F LIG 1 5.026 -0.048 -3.287 0.00 0.00 -0.202 F ATOM 8 C LIG 1 2.755 -0.400 -2.790 0.00 0.00 +0.155 A ATOM 9 N LIG 1 1.720 -0.542 -1.939 0.00 0.00 -0.220 NA BRANCH 5 10 ATOM 10 C LIG 1 5.588 0.076 -0.405 0.00 0.00 +0.005 A ATOM 11 C LIG 1 5.699 0.787 0.809 0.00 0.00 +0.039 A ATOM 12 C LIG 1 6.951 1.007 1.422 0.00 0.00 +0.079 A ATOM 13 C LIG 1 8.096 0.499 0.808 0.00 0.00 +0.039 A ATOM 14 S LIG 1 9.473 0.907 1.760 0.00 0.00 -0.075 S ATOM 15 C LIG 1 8.452 1.705 2.877 0.00 0.00 +0.157 A ATOM 16 C LIG 1 8.029 -0.220 -0.393 0.00 0.00 +0.018 A ATOM 17 N LIG 1 7.167 1.698 2.604 0.00 0.00 -0.247 NA ATOM 18 C LIG 1 6.770 -0.420 -0.978 0.00 0.00 +0.011 A ENDBRANCH 5 10 ENDBRANCH 1 3 BRANCH 1 22 ATOM 19 C LIG 1 -3.094 -1.232 0.457 0.00 0.00 +0.055 A ATOM 20 C LIG 1 -2.290 -1.115 1.575 0.00 0.00 +0.126 A ATOM 21 N LIG 1 -0.952 -0.898 1.516 0.00 0.00 -0.239 NA ATOM 22 C LIG 1 -0.362 -0.829 0.298 0.00 0.00 +0.125 A ATOM 23 C LIG 1 -1.109 -0.976 -0.868 0.00 0.00 +0.044 A ATOM 24 C LIG 1 -2.488 -1.186 -0.792 0.00 0.00 +0.018 A BRANCH 19 26 ATOM 25 O LIG 1 -4.868 -2.458 1.277 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 -4.535 -1.470 0.627 0.00 0.00 +0.248 C ATOM 27 N LIG 1 -5.436 -0.568 0.069 0.00 0.00 -0.295 N ATOM 28 C LIG 1 -5.066 0.770 -0.414 0.00 0.00 +0.123 C ATOM 29 C LIG 1 -6.282 1.615 -0.836 0.00 0.00 +0.100 C ATOM 30 N LIG 1 -7.344 1.706 0.178 0.00 0.00 -0.313 NA ATOM 31 H LIG 1 -7.109 2.429 0.858 0.00 0.00 +0.122 HD ATOM 32 C LIG 1 -7.540 0.434 0.903 0.00 0.00 +0.100 C ATOM 33 C LIG 1 -6.872 -0.793 0.259 0.00 0.00 +0.123 C ENDBRANCH 19 26 ENDBRANCH 1 22 TORSDOF 4