REMARK Name = LIG000996 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.090 0.931 0.337 0.00 0.00 +0.210 A ATOM 2 C LIG 1 -0.602 1.660 1.530 0.00 0.00 +0.288 A ATOM 3 O LIG 1 0.053 2.597 1.965 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 -1.743 1.140 2.098 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -2.355 -0.037 1.666 0.00 0.00 +0.353 A ATOM 6 O LIG 1 -3.325 -0.479 2.286 0.00 0.00 -0.244 OA ATOM 7 N LIG 1 -1.775 -0.650 0.534 0.00 0.00 -0.181 N ATOM 8 N LIG 1 -0.637 -0.168 -0.081 0.00 0.00 -0.152 NA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 4.532 0.150 -1.111 0.00 0.00 +0.115 C ATOM 10 C LIG 1 3.569 1.273 -0.730 0.00 0.00 +0.122 C ATOM 11 N LIG 1 2.353 0.739 -0.116 0.00 0.00 -0.295 N ATOM 12 C LIG 1 1.149 1.392 -0.382 0.00 0.00 +0.272 C ATOM 13 O LIG 1 1.008 2.310 -1.181 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 2.545 -0.168 1.016 0.00 0.00 +0.108 C ATOM 15 C LIG 1 3.522 -1.290 0.678 0.00 0.00 +0.020 C ATOM 16 C LIG 1 4.824 -0.746 0.093 0.00 0.00 +0.018 C BRANCH 9 17 ATOM 17 C LIG 1 5.817 0.737 -1.647 0.00 0.00 +0.312 C ATOM 18 O LIG 1 6.358 1.743 -1.210 0.00 0.00 -0.250 OA BRANCH 17 19 ATOM 19 O LIG 1 6.293 -0.039 -2.658 0.00 0.00 -0.465 OA BRANCH 19 21 ATOM 20 C LIG 1 7.324 1.410 -4.309 0.00 0.00 +0.048 C ATOM 21 C LIG 1 7.546 0.369 -3.229 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 9 17 ENDBRANCH 1 12 BRANCH 7 22 ATOM 22 C LIG 1 -2.318 -1.817 -0.134 0.00 0.00 +0.071 A ATOM 23 C LIG 1 -3.490 -2.471 0.267 0.00 0.00 +0.031 A ATOM 24 C LIG 1 -4.015 -3.584 -0.430 0.00 0.00 -0.046 A ATOM 25 C LIG 1 -5.294 -4.207 0.062 0.00 0.00 +0.044 C ATOM 26 C LIG 1 -3.379 -4.037 -1.597 0.00 0.00 -0.047 A ATOM 27 C LIG 1 -3.916 -5.184 -2.408 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -2.196 -3.412 -1.998 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -1.680 -2.325 -1.281 0.00 0.00 +0.028 A ENDBRANCH 7 22 BRANCH 4 30 ATOM 30 C LIG 1 -2.293 1.826 3.257 0.00 0.00 +0.165 C BRANCH 30 31 ATOM 31 C LIG 1 -3.351 2.837 2.865 0.00 0.00 -0.027 A ATOM 32 C LIG 1 -2.985 4.132 2.463 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -3.964 5.060 2.095 0.00 0.00 +0.038 A ATOM 34 C LIG 1 -5.305 4.694 2.128 0.00 0.00 +0.123 A ATOM 35 F LIG 1 -6.245 5.585 1.784 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -5.688 3.415 2.515 0.00 0.00 +0.038 A ATOM 37 C LIG 1 -4.712 2.485 2.878 0.00 0.00 +0.008 A ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 7