REMARK Name = LIG001561 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.161 0.827 1.534 0.00 0.00 +0.210 A ATOM 2 C LIG 1 -0.807 2.128 1.204 0.00 0.00 +0.288 A ATOM 3 O LIG 1 -0.097 3.121 1.108 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 -2.167 2.081 1.005 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -2.916 0.907 1.073 0.00 0.00 +0.353 A ATOM 6 O LIG 1 -4.141 0.958 0.945 0.00 0.00 -0.244 OA ATOM 7 N LIG 1 -2.181 -0.278 1.306 0.00 0.00 -0.181 N ATOM 8 N LIG 1 -0.825 -0.286 1.563 0.00 0.00 -0.152 NA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 4.387 1.068 -0.076 0.00 0.00 +0.115 C ATOM 10 C LIG 1 3.601 0.342 1.017 0.00 0.00 +0.122 C ATOM 11 N LIG 1 2.163 0.427 0.778 0.00 0.00 -0.295 N ATOM 12 C LIG 1 1.316 0.753 1.836 0.00 0.00 +0.272 C ATOM 13 O LIG 1 1.670 0.983 2.985 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 1.671 0.037 -0.542 0.00 0.00 +0.108 C ATOM 15 C LIG 1 2.795 -0.300 -1.519 0.00 0.00 +0.020 C ATOM 16 C LIG 1 3.875 0.778 -1.499 0.00 0.00 +0.018 C BRANCH 9 17 ATOM 17 C LIG 1 5.859 0.746 0.052 0.00 0.00 +0.312 C ATOM 18 O LIG 1 6.721 1.590 0.254 0.00 0.00 -0.250 OA BRANCH 17 19 ATOM 19 O LIG 1 6.087 -0.587 -0.112 0.00 0.00 -0.465 OA BRANCH 19 21 ATOM 20 C LIG 1 8.139 -0.882 -1.364 0.00 0.00 +0.048 C ATOM 21 C LIG 1 7.458 -1.003 -0.014 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 9 17 ENDBRANCH 1 12 BRANCH 7 22 ATOM 22 C LIG 1 -2.762 -1.602 1.323 0.00 0.00 +0.071 A ATOM 23 C LIG 1 -4.068 -1.878 0.892 0.00 0.00 +0.031 A ATOM 24 C LIG 1 -4.611 -3.182 0.910 0.00 0.00 -0.046 A ATOM 25 C LIG 1 -6.022 -3.395 0.431 0.00 0.00 +0.044 C ATOM 26 C LIG 1 -3.827 -4.254 1.368 0.00 0.00 -0.047 A ATOM 27 C LIG 1 -4.357 -5.660 1.409 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -2.521 -3.997 1.793 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -2.001 -2.698 1.768 0.00 0.00 +0.028 A ENDBRANCH 7 22 BRANCH 4 30 ATOM 30 C LIG 1 -2.844 3.322 0.656 0.00 0.00 +0.165 C BRANCH 30 31 ATOM 31 C LIG 1 -2.849 3.557 -0.840 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -3.866 3.020 -1.643 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -3.857 3.216 -3.024 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.830 3.947 -3.619 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -1.811 4.481 -2.833 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.818 4.286 -1.452 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 7