REMARK Name = LIG000239 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.021 -1.335 0.217 0.00 0.00 +0.210 A ATOM 2 C LIG 1 -0.699 -2.094 -0.844 0.00 0.00 +0.288 A ATOM 3 O LIG 1 -0.147 -3.064 -1.348 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 -1.923 -1.580 -1.202 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -2.348 -0.301 -0.844 0.00 0.00 +0.353 A ATOM 6 O LIG 1 -3.400 0.141 -1.312 0.00 0.00 -0.244 OA ATOM 7 N LIG 1 -1.489 0.409 0.027 0.00 0.00 -0.181 N ATOM 8 N LIG 1 -0.361 -0.154 0.590 0.00 0.00 -0.152 NA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 4.086 -0.028 -0.837 0.00 0.00 +0.092 C ATOM 10 C LIG 1 2.645 -0.254 -0.347 0.00 0.00 +0.120 C ATOM 11 N LIG 1 2.484 -1.427 0.519 0.00 0.00 -0.295 N ATOM 12 C LIG 1 1.234 -1.918 0.899 0.00 0.00 +0.272 C ATOM 13 O LIG 1 1.037 -2.787 1.740 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 3.651 -1.848 1.278 0.00 0.00 +0.108 C ATOM 15 C LIG 1 4.839 -2.147 0.367 0.00 0.00 +0.020 C ATOM 16 C LIG 1 4.829 -1.362 -0.948 0.00 0.00 +0.016 C BRANCH 9 20 ATOM 17 C LIG 1 6.899 2.307 0.201 0.00 0.00 +0.128 C ATOM 18 N LIG 1 6.090 1.308 -0.454 0.00 0.00 -0.318 N ATOM 19 H LIG 1 6.329 1.053 -1.403 0.00 0.00 +0.148 HD ATOM 20 C LIG 1 4.841 0.978 0.032 0.00 0.00 +0.217 C ATOM 21 O LIG 1 4.383 1.459 1.062 0.00 0.00 -0.275 OA ENDBRANCH 9 20 ENDBRANCH 1 12 BRANCH 7 22 ATOM 22 C LIG 1 -1.714 1.769 0.473 0.00 0.00 +0.071 A ATOM 23 C LIG 1 -2.768 2.573 0.015 0.00 0.00 +0.031 A ATOM 24 C LIG 1 -2.958 3.900 0.461 0.00 0.00 -0.046 A ATOM 25 C LIG 1 -4.118 4.695 -0.077 0.00 0.00 +0.044 C ATOM 26 C LIG 1 -2.064 4.455 1.391 0.00 0.00 -0.047 A ATOM 27 C LIG 1 -2.223 5.861 1.899 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -1.007 3.670 1.855 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -0.837 2.356 1.404 0.00 0.00 +0.028 A ENDBRANCH 7 22 BRANCH 4 30 ATOM 30 C LIG 1 -2.746 -2.364 -2.110 0.00 0.00 +0.165 C BRANCH 30 31 ATOM 31 C LIG 1 -3.662 -3.298 -1.351 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -3.238 -4.591 -1.008 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.074 -5.441 -0.283 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.338 -5.008 0.111 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.767 -3.723 -0.216 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.933 -2.870 -0.941 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 5