REMARK Name = LIG001905 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.925 -1.773 -0.401 0.00 0.00 +0.160 A ATOM 2 C LIG 1 1.249 -0.514 -0.902 0.00 0.00 +0.026 A ATOM 3 S LIG 1 -0.186 0.315 -1.365 0.00 0.00 -0.056 S ATOM 4 C LIG 1 -1.109 -1.028 -0.877 0.00 0.00 +0.165 A ATOM 5 N LIG 1 -0.447 -2.046 -0.403 0.00 0.00 -0.218 NA ENDROOT BRANCH 4 6 ATOM 6 N LIG 1 -2.453 -0.873 -1.052 0.00 0.00 -0.263 N ATOM 7 H LIG 1 -2.768 0.022 -1.419 0.00 0.00 +0.157 HD ATOM 8 C LIG 1 -3.373 -1.808 -0.629 0.00 0.00 +0.239 C ATOM 9 O LIG 1 -3.148 -2.856 -0.032 0.00 0.00 -0.273 OA BRANCH 8 10 ATOM 10 C LIG 1 -4.809 -1.404 -0.952 0.00 0.00 +0.222 C BRANCH 10 11 ATOM 11 N LIG 1 -5.254 -0.382 -0.018 0.00 0.00 -0.290 N ATOM 12 C LIG 1 -4.926 0.934 -0.261 0.00 0.00 +0.257 A ATOM 13 O LIG 1 -4.209 1.282 -1.199 0.00 0.00 -0.267 OA ATOM 14 C LIG 1 -5.453 1.917 0.712 0.00 0.00 +0.032 A ATOM 15 C LIG 1 -5.188 3.364 0.467 0.00 0.00 +0.051 C ATOM 16 C LIG 1 -6.129 1.429 1.760 0.00 0.00 +0.121 A ATOM 17 N LIG 1 -6.368 0.105 2.000 0.00 0.00 -0.245 NA ATOM 18 C LIG 1 -5.929 -0.733 1.122 0.00 0.00 +0.202 A ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 4 6 BRANCH 1 19 ATOM 19 C LIG 1 1.895 -2.758 0.100 0.00 0.00 +0.358 C ATOM 20 O LIG 1 3.104 -2.552 0.165 0.00 0.00 -0.243 OA BRANCH 19 22 ATOM 21 C LIG 1 2.206 -4.908 0.989 0.00 0.00 +0.280 C ATOM 22 O LIG 1 1.303 -3.926 0.488 0.00 0.00 -0.463 OA ENDBRANCH 19 22 ENDBRANCH 1 19 BRANCH 2 23 ATOM 23 C LIG 1 2.584 0.149 -1.075 0.00 0.00 +0.049 C BRANCH 23 24 ATOM 24 C LIG 1 3.064 0.799 0.227 0.00 0.00 +0.040 C BRANCH 24 25 ATOM 25 C LIG 1 4.434 1.409 0.070 0.00 0.00 -0.047 A ATOM 26 C LIG 1 5.579 0.610 0.200 0.00 0.00 +0.003 A ATOM 27 C LIG 1 6.849 1.165 0.037 0.00 0.00 +0.000 A ATOM 28 C LIG 1 6.986 2.519 -0.260 0.00 0.00 +0.000 A ATOM 29 C LIG 1 5.854 3.320 -0.396 0.00 0.00 +0.000 A ATOM 30 C LIG 1 4.582 2.768 -0.234 0.00 0.00 +0.003 A ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 8