REMARK Name = LIG000295 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.764 -0.259 -0.968 0.00 0.00 +0.028 A ATOM 2 C LIG 1 -0.207 -0.014 0.018 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.544 -0.237 -0.278 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -2.749 -0.062 0.586 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -3.832 -0.483 -0.296 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -3.382 -0.800 -1.568 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -4.047 -1.092 -2.543 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -1.922 -0.673 -1.544 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -1.011 -0.885 -2.555 0.00 0.00 +0.015 A ATOM 10 C LIG 1 0.337 -0.660 -2.257 0.00 0.00 +0.023 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.249 -0.301 0.006 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -5.645 -0.594 1.463 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -4.966 -1.250 2.249 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -6.866 -0.097 1.861 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -7.121 -0.288 2.820 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -7.604 0.880 1.243 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -8.551 1.412 1.815 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.210 1.232 -0.171 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -5.708 1.109 -0.369 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 N LIG 1 2.125 0.006 -0.782 0.00 0.00 -0.340 N ATOM 21 H LIG 1 2.712 -0.519 -1.426 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 2.681 0.040 0.564 0.00 0.00 +0.137 C BRANCH 22 26 ATOM 23 C LIG 1 6.992 0.326 0.288 0.00 0.00 +0.120 A ATOM 24 C LIG 1 6.185 1.423 -0.020 0.00 0.00 +0.046 A ATOM 25 C LIG 1 4.794 1.333 0.070 0.00 0.00 +0.009 A ATOM 26 C LIG 1 4.186 0.139 0.478 0.00 0.00 -0.030 A ATOM 27 C LIG 1 4.998 -0.962 0.778 0.00 0.00 +0.009 A ATOM 28 C LIG 1 6.392 -0.869 0.687 0.00 0.00 +0.046 A BRANCH 23 30 ATOM 29 C LIG 1 9.200 -0.538 0.460 0.00 0.00 +0.277 C ATOM 30 O LIG 1 8.335 0.549 0.158 0.00 0.00 -0.495 OA ENDBRANCH 23 30 ENDBRANCH 22 26 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 5