REMARK Name = LIG000736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.084 1.052 0.642 0.00 0.00 -0.269 N ATOM 2 H LIG 1 -0.315 1.662 -0.052 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 -0.782 0.571 1.585 0.00 0.00 +0.304 C ATOM 4 N LIG 1 -2.102 0.834 1.362 0.00 0.00 -0.299 N ATOM 5 H LIG 1 -2.697 0.394 2.053 0.00 0.00 +0.150 HD ATOM 6 O LIG 1 -0.491 -0.078 2.586 0.00 0.00 -0.253 OA ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 4.339 -1.559 3.142 0.00 0.00 +0.173 C ATOM 8 N LIG 1 4.531 -0.822 1.915 0.00 0.00 -0.266 N ATOM 9 C LIG 1 3.569 -0.130 1.224 0.00 0.00 +0.071 A ATOM 10 C LIG 1 4.242 0.473 0.170 0.00 0.00 +0.024 A ATOM 11 C LIG 1 3.521 1.295 -0.712 0.00 0.00 +0.013 A ATOM 12 C LIG 1 2.144 1.466 -0.509 0.00 0.00 +0.024 A ATOM 13 C LIG 1 1.476 0.838 0.550 0.00 0.00 +0.037 A ATOM 14 C LIG 1 5.596 0.048 0.301 0.00 0.00 +0.083 A ATOM 15 C LIG 1 2.190 0.028 1.439 0.00 0.00 +0.051 A ATOM 16 N LIG 1 5.758 -0.758 1.361 0.00 0.00 -0.175 NA BRANCH 14 17 ATOM 17 C LIG 1 6.750 0.376 -0.606 0.00 0.00 +0.127 C ATOM 18 C LIG 1 7.279 1.783 -0.332 0.00 0.00 +0.228 C ATOM 19 O LIG 1 6.562 2.752 -0.086 0.00 0.00 -0.275 OA ATOM 20 N LIG 1 8.633 1.974 -0.492 0.00 0.00 -0.256 N ATOM 21 H LIG 1 8.955 2.921 -0.352 0.00 0.00 +0.157 HD ATOM 22 C LIG 1 9.520 1.139 -1.122 0.00 0.00 +0.219 C ATOM 23 O LIG 1 10.630 1.535 -1.466 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 9.020 -0.244 -1.455 0.00 0.00 +0.097 C ATOM 25 C LIG 1 7.889 -0.649 -0.525 0.00 0.00 +0.028 C ENDBRANCH 14 17 ENDBRANCH 1 13 BRANCH 4 26 ATOM 26 C LIG 1 -2.767 1.406 0.203 0.00 0.00 +0.107 C BRANCH 26 27 ATOM 27 C LIG 1 -2.792 0.468 -1.004 0.00 0.00 +0.034 C BRANCH 27 28 ATOM 28 C LIG 1 -3.540 -0.851 -0.763 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 N LIG 1 -4.926 -0.703 -0.293 0.00 0.00 -0.302 NA ATOM 30 C LIG 1 -5.822 -0.094 -1.282 0.00 0.00 +0.097 C ATOM 31 C LIG 1 -7.160 0.275 -0.620 0.00 0.00 +0.089 C ATOM 32 C LIG 1 -7.686 -0.817 0.326 0.00 0.00 +0.015 C ATOM 33 C LIG 1 -6.970 -2.144 0.106 0.00 0.00 +0.016 C ATOM 34 C LIG 1 -5.444 -1.998 0.186 0.00 0.00 +0.084 C BRANCH 31 35 ATOM 35 C LIG 1 -8.162 0.654 -1.698 0.00 0.00 +0.215 C ATOM 36 O LIG 1 -8.508 1.813 -1.906 0.00 0.00 -0.276 OA ATOM 37 N LIG 1 -8.637 -0.352 -2.487 0.00 0.00 -0.329 N ATOM 38 H LIG 1 -8.613 -1.317 -2.191 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 -9.359 -0.090 -3.147 0.00 0.00 +0.145 HD ENDBRANCH 31 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 7