REMARK Name = LIG001185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.591 0.127 0.243 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.130 -1.086 0.042 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.229 -1.981 -0.386 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -0.886 -1.762 -0.629 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.265 -2.920 -1.049 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.221 -3.824 -1.069 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.411 -0.460 -0.404 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.428 -3.304 -0.676 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.301 0.466 0.039 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.692 -4.021 -0.578 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.148 -4.547 -1.939 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -3.623 -5.143 0.458 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.484 1.092 0.684 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -4.419 0.746 0.501 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -3.217 2.473 0.286 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -3.846 3.380 2.588 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -4.141 3.408 1.093 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -3.447 2.675 -1.229 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -3.046 3.977 -1.650 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -2.074 4.006 -1.586 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 0.925 -0.116 -0.637 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.490 -0.960 -0.712 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.450 0.883 0.275 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.934 1.041 0.037 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.866 0.556 0.967 0.00 0.00 +0.013 A ATOM 26 C LIG 1 5.248 0.692 0.751 0.00 0.00 -0.017 A ATOM 27 C LIG 1 5.706 1.324 -0.429 0.00 0.00 -0.014 A ATOM 28 C LIG 1 7.086 1.460 -0.645 0.00 0.00 +0.054 A ATOM 29 C LIG 1 7.994 0.977 0.291 0.00 0.00 +0.117 A ATOM 30 C LIG 1 7.557 0.354 1.454 0.00 0.00 +0.046 A ATOM 31 C LIG 1 4.770 1.799 -1.360 0.00 0.00 +0.009 A ATOM 32 C LIG 1 6.186 0.212 1.681 0.00 0.00 +0.012 A ATOM 33 C LIG 1 3.400 1.657 -1.131 0.00 0.00 +0.006 A BRANCH 29 34 ATOM 34 O LIG 1 9.322 1.137 0.028 0.00 0.00 -0.507 OA ATOM 35 H LIG 1 9.832 0.753 0.760 0.00 0.00 +0.292 HD ENDBRANCH 29 34 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10