REMARK Name = LIG001061 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.574 0.084 -0.075 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -4.424 -1.100 0.639 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -5.240 -1.982 0.820 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.050 -1.123 1.152 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -2.382 -0.013 0.644 0.00 0.00 -0.018 A ATOM 6 C LIG 1 -1.054 0.209 0.965 0.00 0.00 +0.011 A ATOM 7 C LIG 1 -0.405 -0.703 1.819 0.00 0.00 -0.030 A ATOM 8 C LIG 1 -1.105 -1.829 2.314 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -2.445 -2.046 1.981 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -3.290 0.762 -0.249 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -7.252 3.908 0.538 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -6.920 2.826 0.062 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -6.281 2.759 -1.150 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -6.119 3.647 -1.606 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -5.618 1.681 -1.687 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -4.863 1.837 -2.646 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -5.737 0.348 -0.931 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -7.065 0.343 -0.164 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -7.127 1.523 0.793 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 1.051 -0.503 2.165 0.00 0.00 +0.140 C BRANCH 20 21 ATOM 21 N LIG 1 1.901 -1.086 1.159 0.00 0.00 -0.306 N ATOM 22 H LIG 1 1.947 -2.096 1.069 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 2.376 -0.363 0.090 0.00 0.00 +0.262 C ATOM 24 O LIG 1 2.250 0.840 -0.070 0.00 0.00 -0.269 OA BRANCH 23 25 ATOM 25 C LIG 1 3.098 -1.217 -0.954 0.00 0.00 +0.145 C ATOM 26 N LIG 1 2.903 -2.508 -0.907 0.00 0.00 -0.087 NA BRANCH 26 27 ATOM 27 O LIG 1 3.625 -3.177 -1.901 0.00 0.00 -0.409 OA ATOM 28 H LIG 1 3.354 -4.107 -1.777 0.00 0.00 +0.328 HD ENDBRANCH 26 27 BRANCH 25 29 ATOM 29 C LIG 1 3.990 -0.474 -1.923 0.00 0.00 +0.099 C BRANCH 29 30 ATOM 30 C LIG 1 5.335 -0.140 -1.316 0.00 0.00 -0.041 A ATOM 31 C LIG 1 6.365 -1.093 -1.312 0.00 0.00 +0.006 A ATOM 32 C LIG 1 7.602 -0.799 -0.735 0.00 0.00 +0.033 A ATOM 33 C LIG 1 7.811 0.457 -0.152 0.00 0.00 +0.126 A ATOM 34 C LIG 1 6.790 1.416 -0.143 0.00 0.00 +0.033 A ATOM 35 C LIG 1 5.556 1.112 -0.724 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 N LIG 1 9.109 0.770 0.458 0.00 0.00 +0.056 N ATOM 37 O LIG 1 9.983 -0.108 0.435 0.00 0.00 -0.126 OA ATOM 38 O LIG 1 9.255 1.893 0.961 0.00 0.00 -0.126 OA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 23 25 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 8