REMARK Name = LIG001314 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.521 -3.363 1.959 0.00 0.00 +0.033 C ATOM 2 C LIG 1 -0.253 -1.908 2.357 0.00 0.00 +0.102 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -1.495 -1.039 2.255 0.00 0.00 -0.027 A ATOM 4 C LIG 1 -2.268 -0.981 1.087 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -3.397 -0.152 1.031 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -3.786 0.628 2.106 0.00 0.00 +0.100 A ATOM 7 N LIG 1 -4.914 1.454 2.075 0.00 0.00 -0.131 NA ATOM 8 N LIG 1 -5.629 1.493 1.052 0.00 0.00 -0.061 NA ATOM 9 N LIG 1 -5.299 0.808 -0.085 0.00 0.00 -0.198 N ATOM 10 C LIG 1 -3.010 0.581 3.267 0.00 0.00 +0.031 A ATOM 11 C LIG 1 -4.222 -0.057 -0.169 0.00 0.00 +0.278 A ATOM 12 O LIG 1 -3.926 -0.704 -1.169 0.00 0.00 -0.265 OA ATOM 13 C LIG 1 -1.876 -0.236 3.342 0.00 0.00 +0.007 A BRANCH 9 14 ATOM 14 C LIG 1 -6.260 0.855 -1.185 0.00 0.00 +0.199 C ATOM 15 C LIG 1 -7.402 -0.133 -0.915 0.00 0.00 +0.244 C ATOM 16 O LIG 1 -7.324 -1.096 -0.156 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -8.557 0.083 -1.637 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -9.306 -0.575 -1.468 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -8.889 1.187 -2.381 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -10.009 1.311 -2.866 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -7.794 2.203 -2.607 0.00 0.00 +0.099 C ATOM 22 C LIG 1 -6.835 2.251 -1.428 0.00 0.00 +0.046 C ENDBRANCH 9 14 ENDBRANCH 2 3 BRANCH 2 23 ATOM 23 N LIG 1 0.809 -1.322 1.555 0.00 0.00 -0.293 N ATOM 24 H LIG 1 0.580 -1.110 0.597 0.00 0.00 +0.151 HD ATOM 25 C LIG 1 2.131 -1.631 1.804 0.00 0.00 +0.304 C ATOM 26 N LIG 1 2.955 -1.010 0.891 0.00 0.00 -0.269 N ATOM 27 H LIG 1 2.521 -0.280 0.346 0.00 0.00 +0.156 HD ATOM 28 O LIG 1 2.474 -2.348 2.734 0.00 0.00 -0.252 OA BRANCH 26 29 ATOM 29 C LIG 1 4.352 -1.143 0.761 0.00 0.00 +0.035 A ATOM 30 C LIG 1 4.997 -0.292 -0.148 0.00 0.00 +0.031 A ATOM 31 C LIG 1 6.386 -0.355 -0.361 0.00 0.00 -0.016 A ATOM 32 C LIG 1 7.122 -1.304 0.362 0.00 0.00 +0.008 A ATOM 33 C LIG 1 6.490 -2.158 1.267 0.00 0.00 +0.002 A ATOM 34 C LIG 1 5.110 -2.079 1.463 0.00 0.00 +0.023 A BRANCH 31 35 ATOM 35 C LIG 1 7.047 0.547 -1.317 0.00 0.00 -0.018 A ATOM 36 C LIG 1 6.924 1.941 -1.199 0.00 0.00 +0.008 A ATOM 37 C LIG 1 7.550 2.799 -2.108 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.310 2.275 -3.151 0.00 0.00 +0.000 A ATOM 39 C LIG 1 8.444 0.895 -3.285 0.00 0.00 +0.001 A ATOM 40 C LIG 1 7.819 0.039 -2.375 0.00 0.00 +0.008 A ENDBRANCH 31 35 ENDBRANCH 26 29 ENDBRANCH 2 23 TORSDOF 5