REMARK Name = LIG000824 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.749 3.497 -0.053 0.00 0.00 +0.064 C ATOM 2 C LIG 1 -3.264 3.643 -1.462 0.00 0.00 +0.024 A ATOM 3 N LIG 1 -2.212 2.843 -1.987 0.00 0.00 -0.285 N ATOM 4 C LIG 1 -1.682 3.068 -3.267 0.00 0.00 +0.140 A ATOM 5 N LIG 1 -0.635 2.317 -3.515 0.00 0.00 -0.226 NA ATOM 6 C LIG 1 -0.467 1.552 -2.393 0.00 0.00 +0.112 A ATOM 7 C LIG 1 -2.288 4.060 -4.084 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -3.307 4.790 -3.605 0.00 0.00 +0.005 A ATOM 9 C LIG 1 -1.505 1.736 -1.484 0.00 0.00 +0.132 A ATOM 10 C LIG 1 -3.796 4.599 -2.255 0.00 0.00 +0.021 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.693 0.689 -2.244 0.00 0.00 +0.004 A ATOM 12 C LIG 1 1.343 0.569 -1.006 0.00 0.00 +0.024 A ATOM 13 C LIG 1 2.439 -0.267 -0.940 0.00 0.00 +0.050 A ATOM 14 C LIG 1 3.285 -0.624 0.195 0.00 0.00 +0.255 C ATOM 15 N LIG 1 4.241 -1.479 -0.279 0.00 0.00 -0.222 N ATOM 16 C LIG 1 4.057 -1.747 -1.609 0.00 0.00 +0.254 C ATOM 17 O LIG 1 4.665 -2.519 -2.324 0.00 0.00 -0.270 OA ATOM 18 O LIG 1 3.125 -0.215 1.329 0.00 0.00 -0.270 OA ATOM 19 C LIG 1 2.910 -0.952 -2.043 0.00 0.00 +0.049 A ATOM 20 C LIG 1 2.314 -0.839 -3.282 0.00 0.00 +0.014 A ATOM 21 C LIG 1 1.196 -0.002 -3.376 0.00 0.00 +0.011 A BRANCH 15 22 ATOM 22 C LIG 1 5.266 -2.125 0.529 0.00 0.00 +0.171 C ATOM 23 C LIG 1 6.092 -1.067 1.258 0.00 0.00 +0.240 C ATOM 24 O LIG 1 6.699 -0.176 0.665 0.00 0.00 -0.273 OA ATOM 25 N LIG 1 6.084 -1.112 2.630 0.00 0.00 -0.255 N ATOM 26 H LIG 1 6.618 -0.387 3.090 0.00 0.00 +0.158 HD ATOM 27 C LIG 1 5.196 -1.772 3.440 0.00 0.00 +0.219 C ATOM 28 O LIG 1 5.169 -1.556 4.649 0.00 0.00 -0.275 OA ATOM 29 C LIG 1 4.235 -2.728 2.776 0.00 0.00 +0.098 C ATOM 30 C LIG 1 4.758 -3.236 1.445 0.00 0.00 +0.041 C ENDBRANCH 15 22 ENDBRANCH 6 11 BRANCH 9 31 ATOM 31 N LIG 1 -1.835 1.072 -0.323 0.00 0.00 -0.323 N ATOM 32 H LIG 1 -2.295 1.641 0.381 0.00 0.00 +0.148 HD BRANCH 31 33 ATOM 33 C LIG 1 -2.513 -0.259 -0.376 0.00 0.00 +0.028 C ATOM 34 C LIG 1 -3.725 -0.201 -1.339 0.00 0.00 +0.031 C ATOM 35 C LIG 1 -1.576 -1.362 -0.871 0.00 0.00 +0.031 C BRANCH 33 36 ATOM 36 C LIG 1 -3.088 -0.578 1.047 0.00 0.00 +0.031 C BRANCH 36 37 ATOM 37 C LIG 1 -2.169 -0.893 2.272 0.00 0.00 -0.036 C ATOM 38 C LIG 1 -3.051 -0.788 3.540 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -1.619 -2.331 2.228 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -1.003 0.090 2.433 0.00 0.00 +0.010 C ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 31 33 ENDBRANCH 9 31 TORSDOF 6