REMARK Name = LIG001364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.881 -0.082 -0.940 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -3.636 1.032 -0.151 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.359 1.542 0.683 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.290 1.507 -0.493 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -1.737 0.617 -1.409 0.00 0.00 -0.018 A ATOM 6 C LIG 1 -0.459 0.824 -1.899 0.00 0.00 +0.011 A ATOM 7 C LIG 1 0.256 1.954 -1.461 0.00 0.00 -0.030 A ATOM 8 C LIG 1 -0.325 2.837 -0.519 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -1.614 2.617 -0.027 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -2.696 -0.491 -1.683 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -8.195 -2.787 1.165 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -7.268 -2.184 0.631 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -5.976 -2.348 1.063 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -5.848 -2.962 1.855 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -4.823 -1.877 0.477 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -3.724 -2.256 0.880 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -5.012 -0.985 -0.760 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.365 -0.274 -0.709 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -7.473 -1.308 -0.583 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 1.659 2.194 -1.955 0.00 0.00 +0.139 C BRANCH 20 21 ATOM 21 N LIG 1 2.615 1.458 -1.166 0.00 0.00 -0.307 N ATOM 22 H LIG 1 2.365 1.203 -0.209 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 3.917 1.319 -1.564 0.00 0.00 +0.251 C ATOM 24 O LIG 1 4.325 1.710 -2.654 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 4.820 0.657 -0.581 0.00 0.00 +0.119 A ATOM 26 C LIG 1 4.422 0.247 0.784 0.00 0.00 +0.205 A ATOM 27 O LIG 1 3.292 0.442 1.222 0.00 0.00 -0.286 OA ATOM 28 C LIG 1 5.455 -0.408 1.605 0.00 0.00 +0.065 A ATOM 29 C LIG 1 6.728 -0.588 1.070 0.00 0.00 +0.138 A ATOM 30 C LIG 1 7.723 -1.204 1.829 0.00 0.00 +0.047 A ATOM 31 C LIG 1 7.439 -1.639 3.125 0.00 0.00 +0.004 A ATOM 32 C LIG 1 6.163 -1.458 3.662 0.00 0.00 +0.001 A ATOM 33 O LIG 1 7.065 -0.181 -0.196 0.00 0.00 -0.462 OA ATOM 34 C LIG 1 5.167 -0.842 2.903 0.00 0.00 +0.015 A ATOM 35 C LIG 1 6.086 0.417 -0.953 0.00 0.00 +0.212 A ENDBRANCH 23 25 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 4