REMARK Name = LIG000882 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.409 -0.507 0.484 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -2.403 -0.515 -0.503 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -3.731 -0.447 -0.110 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -4.966 -0.418 -0.944 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -6.027 -0.432 0.055 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -5.527 -0.303 1.343 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -6.138 -0.148 2.382 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -4.066 -0.367 1.237 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -3.116 -0.345 2.237 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -1.774 -0.416 1.848 0.00 0.00 +0.024 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -7.419 -0.202 -0.314 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -7.758 1.297 -0.295 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -6.941 2.183 -0.543 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -9.083 1.612 -0.096 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -9.309 2.597 -0.116 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -10.144 0.753 0.038 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -11.296 1.174 0.088 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -9.827 -0.724 0.028 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -8.418 -0.989 0.534 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 21 ATOM 20 C LIG 1 0.563 -0.756 -1.037 0.00 0.00 +0.248 C ATOM 21 N LIG 1 -0.028 -0.567 0.199 0.00 0.00 -0.281 N ATOM 22 H LIG 1 0.588 -0.541 1.001 0.00 0.00 +0.155 HD ATOM 23 O LIG 1 -0.005 -0.986 -2.098 0.00 0.00 -0.270 OA BRANCH 20 29 ATOM 24 C LIG 1 6.982 0.233 -0.265 0.00 0.00 +0.121 A ATOM 25 C LIG 1 6.267 -0.669 -1.059 0.00 0.00 +0.054 A ATOM 26 C LIG 1 4.863 -0.690 -1.060 0.00 0.00 -0.014 A ATOM 27 C LIG 1 4.160 0.214 -0.234 0.00 0.00 -0.017 A ATOM 28 C LIG 1 2.755 0.197 -0.228 0.00 0.00 +0.021 A ATOM 29 C LIG 1 2.052 -0.715 -1.028 0.00 0.00 +0.038 A ATOM 30 C LIG 1 2.750 -1.594 -1.860 0.00 0.00 +0.013 A ATOM 31 C LIG 1 4.885 1.114 0.562 0.00 0.00 +0.012 A ATOM 32 C LIG 1 4.146 -1.585 -1.870 0.00 0.00 +0.009 A ATOM 33 C LIG 1 6.284 1.121 0.549 0.00 0.00 +0.046 A BRANCH 24 34 ATOM 34 O LIG 1 8.339 0.125 -0.373 0.00 0.00 -0.489 OA BRANCH 34 36 ATOM 35 C LIG 1 9.511 0.664 1.676 0.00 0.00 +0.051 C ATOM 36 C LIG 1 9.173 1.104 0.255 0.00 0.00 +0.167 C ATOM 37 C LIG 1 10.449 1.193 -0.580 0.00 0.00 +0.051 C ENDBRANCH 34 36 ENDBRANCH 24 34 ENDBRANCH 20 29 ENDBRANCH 1 21 TORSDOF 5