REMARK Name = LIG001165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.922 0.892 -1.248 0.00 0.00 +0.234 C ATOM 2 N LIG 1 2.291 0.961 -1.016 0.00 0.00 -0.284 N ATOM 3 H LIG 1 2.687 0.226 -0.447 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.237 1.732 -1.827 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 3.184 1.957 -1.468 0.00 0.00 +0.039 A ATOM 6 C LIG 1 4.508 1.923 -1.041 0.00 0.00 +0.003 A ATOM 7 C LIG 1 5.207 0.979 -0.117 0.00 0.00 +0.146 C ATOM 8 N LIG 1 6.548 1.537 -0.020 0.00 0.00 -0.282 N ATOM 9 C LIG 1 6.725 2.614 -0.875 0.00 0.00 +0.248 C ATOM 10 O LIG 1 7.748 3.234 -1.093 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 5.420 2.888 -1.484 0.00 0.00 +0.043 A ATOM 12 C LIG 1 5.080 3.906 -2.352 0.00 0.00 +0.013 A ATOM 13 C LIG 1 3.757 3.951 -2.784 0.00 0.00 +0.003 A ATOM 14 C LIG 1 2.821 2.990 -2.346 0.00 0.00 +0.023 A BRANCH 8 15 ATOM 15 C LIG 1 7.676 0.838 0.587 0.00 0.00 +0.163 C ATOM 16 C LIG 1 8.091 -0.411 -0.212 0.00 0.00 +0.240 C ATOM 17 O LIG 1 7.639 -0.713 -1.314 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 9.008 -1.225 0.413 0.00 0.00 -0.255 N ATOM 19 H LIG 1 9.254 -2.053 -0.115 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 9.115 -1.377 1.772 0.00 0.00 +0.219 C ATOM 21 O LIG 1 9.569 -2.405 2.262 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 8.650 -0.214 2.619 0.00 0.00 +0.098 C ATOM 23 C LIG 1 7.400 0.424 2.031 0.00 0.00 +0.041 C ENDBRANCH 8 15 ENDBRANCH 2 5 BRANCH 1 24 ATOM 24 C LIG 1 0.294 -0.380 -0.646 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 N LIG 1 -1.102 -0.504 -1.049 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -1.491 0.391 -1.350 0.00 0.00 +0.148 HD BRANCH 25 30 ATOM 27 C LIG 1 -4.418 -2.012 -0.535 0.00 0.00 +0.266 C ATOM 28 N LIG 1 -3.357 -1.034 -0.724 0.00 0.00 -0.299 N ATOM 29 H LIG 1 -3.477 -0.512 -1.583 0.00 0.00 +0.150 HD ATOM 30 C LIG 1 -2.042 -1.332 -0.491 0.00 0.00 +0.088 C ATOM 31 C LIG 1 -1.745 -2.400 0.262 0.00 0.00 +0.058 C ATOM 32 C LIG 1 -2.889 -3.158 0.797 0.00 0.00 +0.111 C ATOM 33 N LIG 1 -4.129 -3.031 0.488 0.00 0.00 -0.254 NA BRANCH 27 34 ATOM 34 N LIG 1 -5.786 -1.517 -0.325 0.00 0.00 -0.262 NA BRANCH 34 36 ATOM 35 C LIG 1 -6.487 -1.570 -2.735 0.00 0.00 +0.020 C ATOM 36 C LIG 1 -6.309 -0.745 -1.462 0.00 0.00 +0.085 C ENDBRANCH 34 36 BRANCH 34 37 ATOM 37 C LIG 1 -5.831 -0.721 0.916 0.00 0.00 +0.123 C BRANCH 37 38 ATOM 38 C LIG 1 -7.239 -0.484 1.437 0.00 0.00 -0.033 A ATOM 39 C LIG 1 -8.123 -1.560 1.617 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -9.404 -1.350 2.131 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -9.814 -0.066 2.476 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -8.944 1.012 2.308 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -7.662 0.805 1.793 0.00 0.00 +0.005 A ENDBRANCH 37 38 ENDBRANCH 34 37 ENDBRANCH 27 34 ENDBRANCH 25 30 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9