REMARK Name = LIG000339 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.717 -0.463 0.168 0.00 0.00 -0.027 A ATOM 2 C LIG 1 2.795 0.172 -0.465 0.00 0.00 +0.021 A ATOM 3 C LIG 1 4.021 0.311 0.203 0.00 0.00 +0.068 A ATOM 4 C LIG 1 4.208 -0.152 1.492 0.00 0.00 +0.100 A ATOM 5 N LIG 1 5.423 -0.030 2.173 0.00 0.00 -0.131 NA ATOM 6 N LIG 1 6.381 0.563 1.636 0.00 0.00 -0.061 NA ATOM 7 N LIG 1 6.288 1.093 0.378 0.00 0.00 -0.198 N ATOM 8 C LIG 1 3.131 -0.771 2.133 0.00 0.00 +0.031 A ATOM 9 C LIG 1 5.168 0.961 -0.423 0.00 0.00 +0.278 A ATOM 10 O LIG 1 5.099 1.341 -1.588 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 1.899 -0.920 1.484 0.00 0.00 +0.007 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 7.485 1.732 -0.167 0.00 0.00 +0.199 C ATOM 13 C LIG 1 8.222 2.541 0.901 0.00 0.00 +0.244 C ATOM 14 O LIG 1 7.774 3.584 1.374 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 9.385 1.999 1.395 0.00 0.00 -0.255 N ATOM 16 H LIG 1 9.827 2.519 2.141 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 9.883 0.739 1.181 0.00 0.00 +0.219 C ATOM 18 O LIG 1 10.825 0.311 1.842 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 9.178 -0.108 0.148 0.00 0.00 +0.099 C ATOM 20 C LIG 1 8.425 0.745 -0.860 0.00 0.00 +0.046 C ENDBRANCH 7 12 BRANCH 1 22 ATOM 21 C LIG 1 0.430 -0.982 -1.975 0.00 0.00 +0.033 C ATOM 22 C LIG 1 0.355 -0.611 -0.491 0.00 0.00 +0.102 C BRANCH 22 23 ATOM 23 N LIG 1 -0.406 0.613 -0.297 0.00 0.00 -0.293 N ATOM 24 H LIG 1 0.115 1.477 -0.205 0.00 0.00 +0.151 HD ATOM 25 C LIG 1 -1.748 0.843 -0.296 0.00 0.00 +0.304 C ATOM 26 N LIG 1 -2.549 -0.253 -0.455 0.00 0.00 -0.269 N ATOM 27 H LIG 1 -2.091 -1.130 -0.628 0.00 0.00 +0.156 HD ATOM 28 O LIG 1 -2.117 2.003 -0.146 0.00 0.00 -0.252 OA BRANCH 26 29 ATOM 29 C LIG 1 -3.959 -0.301 -0.443 0.00 0.00 +0.035 A ATOM 30 C LIG 1 -4.559 -1.545 -0.656 0.00 0.00 +0.023 A ATOM 31 C LIG 1 -5.955 -1.685 -0.650 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -6.796 -0.585 -0.432 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -6.174 0.659 -0.216 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -4.779 0.800 -0.221 0.00 0.00 +0.023 A BRANCH 32 35 ATOM 35 C LIG 1 -8.330 -0.697 -0.411 0.00 0.00 -0.013 C ATOM 36 C LIG 1 -8.939 0.244 -1.474 0.00 0.00 +0.015 C ATOM 37 C LIG 1 -8.855 -0.295 0.984 0.00 0.00 +0.015 C ATOM 38 C LIG 1 -8.856 -2.119 -0.708 0.00 0.00 +0.015 C ENDBRANCH 32 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 5