REMARK Name = LIG001277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.728 -0.029 0.480 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -2.286 1.170 0.263 0.00 0.00 -0.194 NA ATOM 3 C LIG 1 -1.387 2.123 -0.043 0.00 0.00 +0.172 A ATOM 4 C LIG 1 -0.018 1.949 -0.146 0.00 0.00 +0.148 A ATOM 5 N LIG 1 0.618 3.124 -0.470 0.00 0.00 -0.230 NA ATOM 6 C LIG 1 -0.357 4.003 -0.568 0.00 0.00 +0.206 A ATOM 7 C LIG 1 0.479 0.659 0.095 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -1.604 3.462 -0.318 0.00 0.00 -0.280 N ATOM 9 N LIG 1 -0.413 -0.312 0.409 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -2.837 4.161 -0.344 0.00 0.00 +0.087 A ATOM 11 C LIG 1 -4.098 3.668 -0.092 0.00 0.00 +0.134 A ATOM 12 N LIG 1 -4.949 4.724 -0.239 0.00 0.00 -0.272 N ATOM 13 C LIG 1 -6.383 4.717 -0.074 0.00 0.00 +0.172 C ATOM 14 N LIG 1 -4.325 5.870 -0.573 0.00 0.00 -0.178 NA ATOM 15 C LIG 1 -3.037 5.525 -0.635 0.00 0.00 +0.160 A ENDBRANCH 8 10 BRANCH 1 16 ATOM 16 N LIG 1 -2.626 -1.032 0.808 0.00 0.00 -0.308 N ATOM 17 H LIG 1 -3.550 -0.701 0.551 0.00 0.00 +0.149 HD BRANCH 16 18 ATOM 18 CA LIG 1 -2.299 -2.396 0.389 0.00 0.00 +0.098 C BRANCH 18 20 ATOM 19 C LIG 1 -2.196 -3.922 -1.680 0.00 0.00 +0.006 C ATOM 20 C LIG 1 -2.578 -2.560 -1.121 0.00 0.00 +0.021 C ENDBRANCH 18 20 BRANCH 18 21 ATOM 21 C LIG 1 -3.131 -3.373 1.252 0.00 0.00 +0.178 C BRANCH 21 22 ATOM 22 O LIG 1 -2.573 -4.685 1.268 0.00 0.00 -0.393 OA ATOM 23 H LIG 1 -1.724 -4.630 1.741 0.00 0.00 +0.209 HD ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 7 24 ATOM 24 N LIG 1 1.850 0.373 -0.007 0.00 0.00 -0.320 N ATOM 25 H LIG 1 2.363 1.255 0.037 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 2.315 -0.603 0.974 0.00 0.00 +0.177 C BRANCH 26 27 ATOM 27 C LIG 1 3.760 -0.953 0.795 0.00 0.00 +0.125 A ATOM 28 N LIG 1 4.281 -1.201 -0.452 0.00 0.00 -0.341 N ATOM 29 H LIG 1 3.755 -1.146 -1.315 0.00 0.00 +0.167 HD ATOM 30 C LIG 1 5.613 -1.492 -0.311 0.00 0.00 +0.068 A ATOM 31 C LIG 1 5.840 -1.402 1.057 0.00 0.00 +0.091 A ATOM 32 C LIG 1 7.125 -1.644 1.560 0.00 0.00 +0.051 A ATOM 33 C LIG 1 8.149 -1.970 0.658 0.00 0.00 +0.061 A ATOM 34 C LIG 1 7.894 -2.052 -0.720 0.00 0.00 +0.061 A ATOM 35 CL LIG 1 9.133 -2.450 -1.861 0.00 0.00 -0.082 Cl ATOM 36 CL LIG 1 9.721 -2.260 1.320 0.00 0.00 -0.082 Cl ATOM 37 C LIG 1 6.610 -1.812 -1.235 0.00 0.00 +0.049 A ATOM 38 N LIG 1 4.688 -1.069 1.724 0.00 0.00 -0.231 NA ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 7 24 TORSDOF 9