REMARK Name = LIG001171 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.220 1.198 -0.126 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.416 2.164 0.455 0.00 0.00 -0.293 N ATOM 3 C LIG 1 0.327 3.106 -0.386 0.00 0.00 +0.108 C ATOM 4 C LIG 1 0.610 4.299 0.538 0.00 0.00 +0.029 C ATOM 5 C LIG 1 0.614 3.692 1.937 0.00 0.00 +0.021 C ATOM 6 C LIG 1 -0.442 2.602 1.844 0.00 0.00 +0.108 C ATOM 7 O LIG 1 -1.330 1.127 -1.353 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.589 2.501 -0.960 0.00 0.00 -0.008 A ATOM 9 C LIG 1 2.430 1.649 -0.236 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.570 1.116 -0.838 0.00 0.00 +0.041 A ATOM 11 C LIG 1 3.868 1.497 -2.136 0.00 0.00 +0.122 A ATOM 12 N LIG 1 3.087 2.323 -2.870 0.00 0.00 -0.262 NA ATOM 13 C LIG 1 1.965 2.793 -2.271 0.00 0.00 +0.116 A BRANCH 10 14 ATOM 14 C LIG 1 4.438 0.204 -0.066 0.00 0.00 +0.195 C ATOM 15 O LIG 1 4.609 0.419 1.132 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 5.093 -0.968 -0.700 0.00 0.00 +0.022 A ATOM 17 C LIG 1 6.341 -1.380 -0.211 0.00 0.00 +0.014 A ATOM 18 C LIG 1 6.977 -2.490 -0.769 0.00 0.00 +0.039 A ATOM 19 C LIG 1 6.361 -3.184 -1.805 0.00 0.00 +0.123 A ATOM 20 F LIG 1 6.971 -4.250 -2.338 0.00 0.00 -0.205 F ATOM 21 C LIG 1 5.115 -2.796 -2.289 0.00 0.00 +0.039 A ATOM 22 C LIG 1 4.472 -1.688 -1.731 0.00 0.00 +0.014 A ENDBRANCH 14 16 ENDBRANCH 10 14 ENDBRANCH 3 8 BRANCH 1 23 ATOM 23 C LIG 1 -1.994 0.232 0.813 0.00 0.00 +0.162 C BRANCH 23 24 ATOM 24 C LIG 1 -1.351 -1.181 0.853 0.00 0.00 +0.018 C ATOM 25 C LIG 1 0.137 -1.123 1.270 0.00 0.00 +0.006 C ATOM 26 C LIG 1 0.651 -2.489 1.710 0.00 0.00 +0.000 C ATOM 27 C LIG 1 -0.090 -3.003 2.943 0.00 0.00 +0.000 C ATOM 28 C LIG 1 -1.492 -2.411 3.094 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -2.151 -2.163 1.742 0.00 0.00 +0.006 C ENDBRANCH 23 24 BRANCH 23 31 ATOM 30 C LIG 1 -3.975 -0.427 -0.612 0.00 0.00 +0.230 C ATOM 31 N LIG 1 -3.413 0.297 0.425 0.00 0.00 -0.302 N ATOM 32 H LIG 1 -3.878 1.166 0.646 0.00 0.00 +0.150 HD ATOM 33 O LIG 1 -3.440 -1.380 -1.169 0.00 0.00 -0.274 OA BRANCH 30 34 ATOM 34 C LIG 1 -5.404 0.037 -0.980 0.00 0.00 +0.137 C ATOM 35 C LIG 1 -6.400 -0.672 -0.068 0.00 0.00 +0.034 C BRANCH 34 37 ATOM 36 C LIG 1 -5.002 0.591 -3.310 0.00 0.00 +0.101 C ATOM 37 N LIG 1 -5.717 -0.288 -2.389 0.00 0.00 -0.309 NA ATOM 38 H LIG 1 -5.386 -1.246 -2.554 0.00 0.00 +0.122 HD ENDBRANCH 34 37 ENDBRANCH 30 34 ENDBRANCH 23 31 ENDBRANCH 1 23 TORSDOF 8