REMARK Name = LIG001439 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.364 -1.134 -0.636 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -0.952 -0.638 -0.757 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.309 0.135 -1.999 0.00 0.00 +0.049 C ATOM 4 C LIG 1 -1.887 -0.944 0.261 0.00 0.00 +0.044 A ATOM 5 C LIG 1 -1.495 -1.818 1.294 0.00 0.00 +0.024 A ATOM 6 C LIG 1 -0.205 -2.345 1.359 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.730 -1.996 0.396 0.00 0.00 +0.046 A ENDROOT BRANCH 4 8 ATOM 8 N LIG 1 -3.202 -0.378 0.323 0.00 0.00 -0.254 N ATOM 9 C LIG 1 -4.314 -1.138 0.691 0.00 0.00 +0.313 C ATOM 10 O LIG 1 -4.328 -2.346 0.910 0.00 0.00 -0.252 OA ATOM 11 N LIG 1 -5.485 -0.429 0.817 0.00 0.00 -0.240 N ATOM 12 H LIG 1 -6.290 -0.988 1.066 0.00 0.00 +0.159 HD ATOM 13 C LIG 1 -5.569 0.893 1.154 0.00 0.00 +0.222 C ATOM 14 O LIG 1 -6.602 1.376 1.609 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 -4.299 1.682 1.033 0.00 0.00 +0.115 C ATOM 16 C LIG 1 -3.406 1.028 -0.001 0.00 0.00 +0.124 C ENDBRANCH 4 8 BRANCH 1 17 ATOM 17 O LIG 1 1.295 -0.829 -1.598 0.00 0.00 -0.482 OA BRANCH 17 18 ATOM 18 C LIG 1 2.189 0.184 -1.148 0.00 0.00 +0.324 C BRANCH 18 21 ATOM 19 N LIG 1 4.395 0.684 -0.231 0.00 0.00 -0.313 N ATOM 20 H LIG 1 4.167 1.636 -0.490 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 3.563 -0.326 -0.692 0.00 0.00 +0.251 C ATOM 22 O LIG 1 3.903 -1.504 -0.721 0.00 0.00 -0.272 OA BRANCH 19 24 ATOM 23 C LIG 1 6.381 1.520 0.934 0.00 0.00 +0.024 C ATOM 24 C LIG 1 5.769 0.394 0.124 0.00 0.00 +0.101 C ENDBRANCH 19 24 ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 5