REMARK Name = LIG000927 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.430 0.275 -0.354 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.852 1.528 -0.122 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.867 2.336 0.294 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.540 2.002 0.484 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.813 3.094 0.911 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.692 4.070 0.993 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -1.180 0.673 0.209 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.949 3.660 0.629 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -2.158 -0.164 -0.240 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.155 4.475 0.608 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.038 5.628 -0.389 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.517 4.982 2.004 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -4.423 -0.586 -0.755 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -5.224 -0.037 -1.041 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.208 -1.848 -1.463 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -4.536 -3.259 0.636 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -3.633 -2.943 -0.550 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -3.409 -1.672 -2.774 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -2.001 -1.601 -2.579 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -1.871 -1.080 -1.759 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 0.125 0.222 0.403 0.00 0.00 -0.323 N ATOM 22 H LIG 1 0.770 1.004 0.492 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.577 -0.855 -0.455 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.034 -1.138 -0.173 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.024 -0.817 -1.109 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.373 -1.079 -0.839 0.00 0.00 +0.010 A ATOM 27 C LIG 1 4.763 -1.663 0.374 0.00 0.00 +0.002 A ATOM 28 C LIG 1 3.768 -1.977 1.310 0.00 0.00 +0.010 A ATOM 29 C LIG 1 2.420 -1.717 1.043 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 6.156 -1.950 0.687 0.00 0.00 +0.089 A ATOM 31 N LIG 1 6.558 -2.541 1.869 0.00 0.00 -0.236 NA ATOM 32 C LIG 1 7.865 -2.637 1.792 0.00 0.00 +0.199 A ATOM 33 N LIG 1 8.329 -2.134 0.614 0.00 0.00 -0.339 N ATOM 34 C LIG 1 9.710 -2.082 0.210 0.00 0.00 +0.150 C ATOM 35 C LIG 1 7.256 -1.691 -0.106 0.00 0.00 +0.115 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10