REMARK Name = LIG001246 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.860 -2.532 3.685 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.049 -1.858 2.778 0.00 0.00 -0.284 N ATOM 3 H LIG 1 -0.320 -2.421 2.021 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 1.502 -2.029 4.604 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -0.100 -0.458 2.646 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -0.792 0.053 1.554 0.00 0.00 +0.003 A ATOM 7 C LIG 1 -1.492 -0.639 0.435 0.00 0.00 +0.146 C ATOM 8 N LIG 1 -2.043 0.458 -0.345 0.00 0.00 -0.282 N ATOM 9 C LIG 1 -1.659 1.689 0.142 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -1.875 2.783 -0.336 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -0.900 1.438 1.369 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -0.363 2.360 2.240 0.00 0.00 +0.013 A ATOM 13 C LIG 1 0.313 1.859 3.349 0.00 0.00 +0.003 A ATOM 14 C LIG 1 0.442 0.469 3.548 0.00 0.00 +0.023 A BRANCH 8 15 ATOM 15 C LIG 1 -2.852 0.227 -1.538 0.00 0.00 +0.163 C ATOM 16 C LIG 1 -2.170 0.793 -2.789 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -1.105 0.347 -3.217 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 -2.771 1.869 -3.392 0.00 0.00 -0.255 N ATOM 19 H LIG 1 -2.300 2.243 -4.204 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 -3.869 2.577 -2.977 0.00 0.00 +0.219 C ATOM 21 O LIG 1 -4.260 3.550 -3.617 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -4.549 2.125 -1.708 0.00 0.00 +0.098 C ATOM 23 C LIG 1 -4.312 0.654 -1.414 0.00 0.00 +0.041 C ENDBRANCH 8 15 ENDBRANCH 2 5 BRANCH 1 24 ATOM 24 C LIG 1 0.970 -4.048 3.406 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 N LIG 1 2.167 -4.364 2.587 0.00 0.00 -0.320 N ATOM 26 H LIG 1 2.893 -3.714 2.912 0.00 0.00 +0.148 HD BRANCH 25 29 ATOM 27 C LIG 1 2.029 -2.295 -0.300 0.00 0.00 +0.162 A ATOM 28 N LIG 1 2.338 -2.733 0.933 0.00 0.00 -0.213 NA ATOM 29 C LIG 1 1.975 -3.981 1.250 0.00 0.00 +0.123 A ATOM 30 C LIG 1 1.362 -4.828 0.355 0.00 0.00 +0.063 A ATOM 31 C LIG 1 1.108 -4.311 -0.889 0.00 0.00 +0.116 A ATOM 32 N LIG 1 1.399 -3.041 -1.227 0.00 0.00 -0.236 NA BRANCH 27 36 ATOM 33 C LIG 1 2.548 1.920 -1.120 0.00 0.00 +0.017 A ATOM 34 C LIG 1 2.949 1.379 0.107 0.00 0.00 +0.012 A ATOM 35 C LIG 1 2.808 0.008 0.360 0.00 0.00 +0.012 A ATOM 36 C LIG 1 2.249 -0.864 -0.593 0.00 0.00 +0.019 A ATOM 37 C LIG 1 1.854 -0.296 -1.820 0.00 0.00 +0.012 A ATOM 38 C LIG 1 1.998 1.075 -2.083 0.00 0.00 +0.012 A BRANCH 33 40 ATOM 39 C LIG 1 2.503 3.931 -2.740 0.00 0.00 +0.091 C ATOM 40 C LIG 1 2.712 3.385 -1.350 0.00 0.00 +0.160 C ATOM 41 O LIG 1 3.027 4.121 -0.421 0.00 0.00 -0.292 OA ENDBRANCH 33 40 ENDBRANCH 27 36 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 7