REMARK Name = LIG000400 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.187 -0.563 0.530 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -2.789 0.615 0.763 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -1.912 1.606 0.969 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -0.534 1.514 0.945 0.00 0.00 +0.148 A ATOM 5 N LIG 1 0.050 2.736 1.208 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -0.965 3.557 1.381 0.00 0.00 +0.201 A ATOM 7 C LIG 1 0.009 0.246 0.678 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.173 2.921 1.246 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -0.859 -0.779 0.471 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.477 3.553 1.381 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.282 3.495 0.083 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.271 2.990 2.560 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -2.958 -1.686 0.285 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -2.334 -2.409 -0.060 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.175 -1.495 -0.511 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -6.293 -2.786 -1.168 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -4.917 -2.848 -0.522 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -3.836 -0.997 -1.936 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -2.926 -1.877 -2.595 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -2.056 -1.735 -2.177 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 1.397 0.047 0.604 0.00 0.00 -0.327 N ATOM 22 H LIG 1 1.854 0.849 1.040 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.845 -1.250 1.093 0.00 0.00 +0.105 C BRANCH 23 24 ATOM 24 C LIG 1 3.353 -1.380 0.895 0.00 0.00 +0.040 C BRANCH 24 25 ATOM 25 C LIG 1 3.721 -1.502 -0.585 0.00 0.00 +0.130 C BRANCH 25 26 ATOM 26 N LIG 1 5.147 -1.619 -0.771 0.00 0.00 -0.274 N ATOM 27 C LIG 1 6.035 -0.578 -0.899 0.00 0.00 +0.090 A ATOM 28 C LIG 1 7.287 -1.156 -0.967 0.00 0.00 +0.157 A ATOM 29 C LIG 1 8.430 -0.397 -1.100 0.00 0.00 +0.048 A ATOM 30 C LIG 1 8.275 0.992 -1.162 0.00 0.00 +0.004 A ATOM 31 C LIG 1 6.996 1.578 -1.090 0.00 0.00 +0.002 A ATOM 32 O LIG 1 7.247 -2.538 -0.877 0.00 0.00 -0.407 OA ATOM 33 C LIG 1 5.851 0.787 -0.955 0.00 0.00 +0.030 A ATOM 34 C LIG 1 5.875 -2.792 -0.731 0.00 0.00 +0.421 A ATOM 35 O LIG 1 5.419 -3.917 -0.578 0.00 0.00 -0.223 OA ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 11