REMARK Name = LIG000774 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.024 -0.454 0.626 0.00 0.00 -0.323 N ATOM 2 H LIG 1 -0.587 -1.305 0.275 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 9 ATOM 3 C LIG 1 -4.568 0.327 0.773 0.00 0.00 +0.219 A ATOM 4 N LIG 1 -5.227 -0.839 0.687 0.00 0.00 -0.195 NA ATOM 5 C LIG 1 -4.403 -1.888 0.572 0.00 0.00 +0.167 A ATOM 6 C LIG 1 -3.022 -1.861 0.538 0.00 0.00 +0.148 A ATOM 7 N LIG 1 -2.507 -3.133 0.391 0.00 0.00 -0.231 NA ATOM 8 C LIG 1 -3.563 -3.918 0.355 0.00 0.00 +0.201 A ATOM 9 C LIG 1 -2.415 -0.598 0.636 0.00 0.00 +0.152 A ATOM 10 N LIG 1 -4.734 -3.211 0.460 0.00 0.00 -0.312 N ATOM 11 N LIG 1 -3.229 0.486 0.744 0.00 0.00 -0.197 NA BRANCH 10 12 ATOM 12 C LIG 1 -6.071 -3.788 0.449 0.00 0.00 +0.084 C ATOM 13 C LIG 1 -6.811 -3.553 1.765 0.00 0.00 +0.030 C ATOM 14 C LIG 1 -6.892 -3.315 -0.751 0.00 0.00 +0.030 C ENDBRANCH 10 12 BRANCH 3 15 ATOM 15 N LIG 1 -5.278 1.511 0.897 0.00 0.00 -0.308 N ATOM 16 H LIG 1 -4.618 2.258 0.713 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 CA LIG 1 -6.562 1.599 0.201 0.00 0.00 +0.098 C BRANCH 17 19 ATOM 18 C LIG 1 -5.667 2.964 -1.809 0.00 0.00 +0.006 C ATOM 19 C LIG 1 -6.380 1.706 -1.329 0.00 0.00 +0.021 C ENDBRANCH 17 19 BRANCH 17 20 ATOM 20 C LIG 1 -7.364 2.775 0.796 0.00 0.00 +0.178 C BRANCH 20 21 ATOM 21 O LIG 1 -8.619 2.937 0.142 0.00 0.00 -0.393 OA ATOM 22 H LIG 1 -9.088 3.651 0.607 0.00 0.00 +0.209 HD ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 15 17 ENDBRANCH 3 15 ENDBRANCH 1 9 BRANCH 1 23 ATOM 23 C LIG 1 -0.545 0.774 0.026 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 0.963 0.726 -0.068 0.00 0.00 -0.030 A ATOM 25 C LIG 1 1.747 0.849 1.087 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.142 0.793 1.009 0.00 0.00 +0.009 A ATOM 27 C LIG 1 3.792 0.610 -0.222 0.00 0.00 -0.018 A ATOM 28 C LIG 1 2.998 0.481 -1.372 0.00 0.00 +0.009 A ATOM 29 C LIG 1 1.601 0.534 -1.298 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 5.261 0.550 -0.303 0.00 0.00 -0.018 A ATOM 31 C LIG 1 5.994 -0.345 0.489 0.00 0.00 +0.009 A ATOM 32 C LIG 1 7.391 -0.402 0.412 0.00 0.00 +0.009 A ATOM 33 C LIG 1 8.104 0.434 -0.460 0.00 0.00 -0.018 A ATOM 34 C LIG 1 7.370 1.329 -1.253 0.00 0.00 +0.009 A ATOM 35 C LIG 1 5.973 1.386 -1.175 0.00 0.00 +0.009 A BRANCH 33 36 ATOM 36 C LIG 1 9.572 0.374 -0.541 0.00 0.00 -0.018 A ATOM 37 C LIG 1 10.367 0.500 0.611 0.00 0.00 +0.008 A ATOM 38 C LIG 1 11.761 0.444 0.535 0.00 0.00 +0.001 A ATOM 39 C LIG 1 12.386 0.259 -0.696 0.00 0.00 +0.000 A ATOM 40 C LIG 1 11.617 0.131 -1.850 0.00 0.00 +0.001 A ATOM 41 C LIG 1 10.223 0.189 -1.773 0.00 0.00 +0.008 A ENDBRANCH 33 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 11