REMARK Name = LIG001495 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.918 -0.365 2.306 0.00 0.00 +0.147 A ATOM 2 C LIG 1 1.908 0.279 3.536 0.00 0.00 +0.099 A ATOM 3 CL LIG 1 2.934 -0.154 4.843 0.00 0.00 -0.078 Cl ATOM 4 C LIG 1 1.018 1.319 3.663 0.00 0.00 +0.137 A ATOM 5 N LIG 1 0.190 1.717 2.677 0.00 0.00 -0.221 NA ATOM 6 C LIG 1 0.263 1.047 1.523 0.00 0.00 +0.217 A ATOM 7 N LIG 1 1.088 0.017 1.308 0.00 0.00 -0.198 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 2.788 -1.464 2.099 0.00 0.00 -0.297 N ATOM 9 H LIG 1 3.704 -1.290 2.530 0.00 0.00 +0.154 HD BRANCH 8 11 ATOM 10 C LIG 1 4.034 -2.599 0.282 0.00 0.00 +0.110 A ATOM 11 C LIG 1 2.843 -2.311 0.973 0.00 0.00 +0.058 A ATOM 12 C LIG 1 1.659 -2.892 0.486 0.00 0.00 +0.025 A ATOM 13 C LIG 1 1.665 -3.765 -0.605 0.00 0.00 +0.002 A ATOM 14 C LIG 1 2.862 -4.080 -1.238 0.00 0.00 +0.002 A ATOM 15 C LIG 1 4.048 -3.502 -0.794 0.00 0.00 +0.029 A BRANCH 10 16 ATOM 16 S LIG 1 5.585 -1.859 0.752 0.00 0.00 +0.001 S ATOM 17 O LIG 1 6.630 -2.812 0.427 0.00 0.00 -0.169 OA ATOM 18 O LIG 1 5.444 -1.396 2.125 0.00 0.00 -0.169 OA BRANCH 16 20 ATOM 19 C LIG 1 4.688 0.616 -0.091 0.00 0.00 +0.032 C ATOM 20 C LIG 1 5.790 -0.417 -0.295 0.00 0.00 +0.130 C ATOM 21 C LIG 1 5.933 -0.776 -1.770 0.00 0.00 +0.032 C ENDBRANCH 16 20 ENDBRANCH 10 16 ENDBRANCH 8 11 ENDBRANCH 1 8 BRANCH 6 22 ATOM 22 N LIG 1 -0.540 1.391 0.445 0.00 0.00 -0.309 N ATOM 23 H LIG 1 -0.496 0.583 -0.170 0.00 0.00 +0.149 HD BRANCH 22 24 ATOM 24 C LIG 1 -1.884 1.867 0.774 0.00 0.00 +0.090 C ATOM 25 C LIG 1 -2.849 1.543 -0.389 0.00 0.00 +0.130 C ATOM 26 N LIG 1 -4.217 2.013 -0.136 0.00 0.00 -0.296 N ATOM 27 C LIG 1 -5.369 1.299 -0.463 0.00 0.00 +0.247 C ATOM 28 O LIG 1 -6.473 1.551 0.015 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 -4.366 3.187 0.719 0.00 0.00 +0.108 C ATOM 30 C LIG 1 -3.151 4.099 0.632 0.00 0.00 +0.021 C ATOM 31 C LIG 1 -1.866 3.383 1.054 0.00 0.00 +0.025 C BRANCH 27 32 ATOM 32 C LIG 1 -5.272 0.185 -1.433 0.00 0.00 +0.037 A ATOM 33 C LIG 1 -5.807 -1.059 -1.086 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -5.740 -2.118 -1.992 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.155 -1.929 -3.245 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.644 -0.679 -3.601 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -4.708 0.383 -2.699 0.00 0.00 +0.013 A ENDBRANCH 27 32 ENDBRANCH 22 24 ENDBRANCH 6 22 TORSDOF 7