REMARK Name = LIG000389 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.910 -4.508 -0.875 0.00 0.00 +0.091 A ATOM 2 C LIG 1 -1.068 -3.100 -0.935 0.00 0.00 +0.118 A ATOM 3 C LIG 1 0.150 -2.580 -0.548 0.00 0.00 +0.124 A ATOM 4 C LIG 1 0.356 -1.213 -0.501 0.00 0.00 +0.149 A ATOM 5 N LIG 1 -0.704 -0.441 -0.821 0.00 0.00 -0.205 NA ATOM 6 C LIG 1 -1.869 -1.017 -1.185 0.00 0.00 +0.191 A ATOM 7 N LIG 1 0.926 -3.661 -0.255 0.00 0.00 -0.272 N ATOM 8 H LIG 1 1.876 -3.661 0.101 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 -2.119 -2.331 -1.277 0.00 0.00 -0.218 NA ATOM 10 N LIG 1 0.325 -4.847 -0.464 0.00 0.00 -0.176 NA ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -1.489 -6.439 -2.371 0.00 0.00 +0.014 C ATOM 12 C LIG 1 -1.936 -5.552 -1.207 0.00 0.00 +0.035 C ATOM 13 C LIG 1 -2.292 -6.405 0.013 0.00 0.00 +0.014 C ENDBRANCH 1 12 BRANCH 4 14 ATOM 14 N LIG 1 1.574 -0.655 -0.130 0.00 0.00 -0.323 N ATOM 15 H LIG 1 2.374 -1.208 -0.410 0.00 0.00 +0.148 HD BRANCH 14 16 ATOM 16 C LIG 1 1.725 0.762 -0.423 0.00 0.00 +0.138 C BRANCH 16 17 ATOM 17 C LIG 1 3.130 1.188 -0.059 0.00 0.00 -0.030 A ATOM 18 C LIG 1 4.076 1.470 -1.054 0.00 0.00 +0.007 A ATOM 19 C LIG 1 5.379 1.851 -0.714 0.00 0.00 +0.028 A ATOM 20 C LIG 1 5.755 1.949 0.632 0.00 0.00 +0.065 A ATOM 21 C LIG 1 4.813 1.660 1.630 0.00 0.00 +0.028 A ATOM 22 C LIG 1 3.512 1.282 1.286 0.00 0.00 +0.007 A BRANCH 20 23 ATOM 23 N LIG 1 7.074 2.333 1.007 0.00 0.00 -0.240 N ATOM 24 N LIG 1 7.433 2.417 2.316 0.00 0.00 -0.175 NA ATOM 25 C LIG 1 8.710 2.796 2.297 0.00 0.00 +0.135 A ATOM 26 C LIG 1 9.201 2.964 0.996 0.00 0.00 +0.041 A ATOM 27 C LIG 1 8.133 2.661 0.184 0.00 0.00 +0.114 A ENDBRANCH 20 23 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 4 14 BRANCH 6 28 ATOM 28 S LIG 1 -3.224 0.056 -1.619 0.00 0.00 -0.086 S BRANCH 28 29 ATOM 29 C LIG 1 -2.787 1.525 -0.633 0.00 0.00 +0.078 C BRANCH 29 30 ATOM 30 C LIG 1 -3.862 2.615 -0.688 0.00 0.00 +0.026 C BRANCH 30 31 ATOM 31 C LIG 1 -5.161 2.223 0.032 0.00 0.00 +0.084 C BRANCH 31 32 ATOM 32 N LIG 1 -6.179 3.290 -0.014 0.00 0.00 -0.308 NA ATOM 33 C LIG 1 -5.832 4.423 0.848 0.00 0.00 +0.104 C ATOM 34 C LIG 1 -7.483 2.752 0.389 0.00 0.00 +0.104 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 6 28 TORSDOF 10