REMARK Name = LIG001150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.171 0.355 -0.184 0.00 0.00 +0.152 A ATOM 2 C LIG 1 -0.851 1.545 0.106 0.00 0.00 +0.148 A ATOM 3 N LIG 1 -0.398 2.814 0.381 0.00 0.00 -0.230 NA ATOM 4 C LIG 1 -1.496 3.516 0.565 0.00 0.00 +0.206 A ATOM 5 N LIG 1 -2.649 2.768 0.419 0.00 0.00 -0.280 N ATOM 6 C LIG 1 -2.231 1.484 0.119 0.00 0.00 +0.172 A ATOM 7 N LIG 1 -2.981 0.395 -0.114 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -2.267 -0.712 -0.382 0.00 0.00 +0.222 A ATOM 9 N LIG 1 -0.916 -0.752 -0.425 0.00 0.00 -0.197 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.976 3.245 0.554 0.00 0.00 +0.087 A ATOM 11 C LIG 1 -4.383 4.526 0.862 0.00 0.00 +0.134 A ATOM 12 N LIG 1 -5.750 4.485 0.878 0.00 0.00 -0.272 N ATOM 13 C LIG 1 -6.651 5.578 1.149 0.00 0.00 +0.172 C ATOM 14 N LIG 1 -6.251 3.267 0.603 0.00 0.00 -0.178 NA ATOM 15 C LIG 1 -5.167 2.512 0.401 0.00 0.00 +0.160 A ENDBRANCH 5 10 BRANCH 8 16 ATOM 16 N LIG 1 -2.953 -1.875 -0.664 0.00 0.00 -0.295 N ATOM 17 C LIG 1 -4.352 -2.012 -0.248 0.00 0.00 +0.136 C ATOM 18 C LIG 1 -4.541 -3.316 0.546 0.00 0.00 +0.179 C ATOM 19 O LIG 1 -4.162 -4.499 -0.173 0.00 0.00 -0.377 OA ATOM 20 C LIG 1 -3.121 -4.275 -1.136 0.00 0.00 +0.179 C ATOM 21 C LIG 1 -2.181 -3.116 -0.772 0.00 0.00 +0.136 C ENDBRANCH 8 16 BRANCH 1 22 ATOM 22 N LIG 1 1.232 0.299 -0.206 0.00 0.00 -0.320 N ATOM 23 H LIG 1 1.587 1.254 -0.287 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 1.762 -0.587 -1.239 0.00 0.00 +0.177 C BRANCH 24 33 ATOM 25 C LIG 1 7.638 -1.097 -0.048 0.00 0.00 +0.140 A ATOM 26 C LIG 1 7.738 -0.962 -1.447 0.00 0.00 +0.085 A ATOM 27 CL LIG 1 9.281 -0.982 -2.237 0.00 0.00 -0.080 Cl ATOM 28 C LIG 1 6.605 -0.805 -2.257 0.00 0.00 +0.053 A ATOM 29 C LIG 1 5.349 -0.785 -1.643 0.00 0.00 +0.091 A ATOM 30 C LIG 1 5.263 -0.921 -0.263 0.00 0.00 +0.070 A ATOM 31 N LIG 1 3.918 -0.859 -0.003 0.00 0.00 -0.340 N ATOM 32 H LIG 1 3.469 -0.898 0.902 0.00 0.00 +0.167 HD ATOM 33 C LIG 1 3.254 -0.692 -1.194 0.00 0.00 +0.125 A ATOM 34 N LIG 1 4.103 -0.644 -2.202 0.00 0.00 -0.231 NA ATOM 35 C LIG 1 6.376 -1.077 0.570 0.00 0.00 +0.075 A BRANCH 25 37 ATOM 36 C LIG 1 8.757 -1.382 2.049 0.00 0.00 +0.277 C ATOM 37 O LIG 1 8.820 -1.243 0.636 0.00 0.00 -0.494 OA ENDBRANCH 25 37 ENDBRANCH 24 33 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 6