REMARK Name = BDB010447 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.228 -2.512 1.612 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -1.044 -3.100 1.375 0.00 0.00 -0.202 NA ATOM 3 C LIG 1 -0.293 -2.391 0.518 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.934 -2.795 0.090 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.333 -1.866 -0.746 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.391 -0.861 -0.868 0.00 0.00 -0.307 N ATOM 7 C LIG 1 -0.673 -1.185 -0.051 0.00 0.00 +0.129 A ATOM 8 C LIG 1 -1.916 -0.635 0.262 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -2.688 -1.350 1.104 0.00 0.00 -0.206 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.496 -1.858 -1.469 0.00 0.00 -0.289 N ATOM 11 C LIG 1 3.702 -2.314 -0.684 0.00 0.00 +0.132 C ATOM 12 C LIG 1 4.955 -2.364 -1.605 0.00 0.00 +0.187 C ATOM 13 O LIG 1 4.750 -3.186 -2.767 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 3.646 -2.678 -3.525 0.00 0.00 +0.179 C ATOM 15 C LIG 1 2.360 -2.703 -2.695 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 3.961 -1.424 0.531 0.00 0.00 -0.025 A ATOM 17 C LIG 1 3.633 -1.897 1.813 0.00 0.00 +0.005 A ATOM 18 C LIG 1 3.855 -1.112 2.947 0.00 0.00 +0.000 A ATOM 19 C LIG 1 4.407 0.159 2.818 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.730 0.649 1.555 0.00 0.00 +0.000 A ATOM 21 C LIG 1 4.503 -0.133 0.420 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 24 ATOM 22 N LIG 1 -2.618 -4.438 3.060 0.00 0.00 -0.309 N ATOM 23 H LIG 1 -1.711 -4.723 2.700 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 -3.143 -3.253 2.562 0.00 0.00 +0.281 C ATOM 25 O LIG 1 -4.259 -2.841 2.863 0.00 0.00 -0.267 OA BRANCH 22 27 ATOM 26 C LIG 1 -4.259 -6.257 3.100 0.00 0.00 +0.024 C ATOM 27 C LIG 1 -3.373 -5.329 3.909 0.00 0.00 +0.101 C ENDBRANCH 22 27 ENDBRANCH 1 24 BRANCH 8 28 ATOM 28 N LIG 1 -2.377 0.573 -0.255 0.00 0.00 -0.324 N ATOM 29 H LIG 1 -1.632 1.254 -0.306 0.00 0.00 +0.148 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.623 1.125 0.300 0.00 0.00 +0.072 C ATOM 31 C LIG 1 -4.816 0.517 -0.440 0.00 0.00 +0.028 C BRANCH 30 32 ATOM 32 C LIG 1 -3.572 2.664 0.185 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -4.825 3.498 0.561 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -5.080 3.729 -0.938 0.00 0.00 +0.001 C ATOM 35 C LIG 1 -3.615 3.345 -1.208 0.00 0.00 +0.005 C ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 8 28 BRANCH 6 36 ATOM 36 C LIG 1 0.498 0.272 -1.767 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 1.490 1.368 -1.328 0.00 0.00 +0.009 C ATOM 38 C LIG 1 1.250 1.853 0.115 0.00 0.00 +0.005 C ATOM 39 C LIG 1 1.849 3.236 0.339 0.00 0.00 +0.003 C ATOM 40 C LIG 1 1.144 4.290 -0.532 0.00 0.00 -0.014 C ATOM 41 C LIG 1 2.065 5.491 -0.753 0.00 0.00 +0.007 C ATOM 42 C LIG 1 0.643 3.711 -1.868 0.00 0.00 +0.003 C ATOM 43 C LIG 1 1.491 2.534 -2.340 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 9