REMARK Name = LIG000092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.456 -0.424 -2.583 0.00 0.00 +0.112 A ATOM 2 C LIG 1 -1.448 -1.204 -2.002 0.00 0.00 +0.131 A ATOM 3 N LIG 1 -2.168 -1.703 -3.080 0.00 0.00 -0.288 N ATOM 4 C LIG 1 -1.651 -1.102 -4.223 0.00 0.00 +0.140 A ATOM 5 C LIG 1 -2.269 -1.423 -5.466 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.287 -2.304 -5.501 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -3.778 -2.946 -4.292 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -3.211 -2.633 -3.116 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.628 -0.326 -3.945 0.00 0.00 -0.226 NA ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 4.155 1.181 0.959 0.00 0.00 -0.282 N ATOM 11 C LIG 1 3.781 2.203 0.095 0.00 0.00 +0.248 C ATOM 12 O LIG 1 4.278 3.305 -0.015 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 2.647 1.703 -0.689 0.00 0.00 +0.042 A ATOM 14 C LIG 1 2.421 0.375 -0.327 0.00 0.00 -0.017 A ATOM 15 C LIG 1 1.410 -0.353 -0.934 0.00 0.00 +0.016 A ATOM 16 C LIG 1 0.614 0.284 -1.901 0.00 0.00 +0.004 A ATOM 17 C LIG 1 0.875 1.627 -2.260 0.00 0.00 +0.011 A ATOM 18 C LIG 1 1.900 2.354 -1.649 0.00 0.00 +0.014 A ATOM 19 C LIG 1 3.414 -0.049 0.704 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 8.719 -0.398 3.516 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 7.781 0.198 2.998 0.00 0.00 +0.219 C ATOM 22 N LIG 1 7.725 0.388 1.640 0.00 0.00 -0.255 N ATOM 23 H LIG 1 8.461 -0.090 1.132 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.559 0.541 0.926 0.00 0.00 +0.240 C ATOM 25 O LIG 1 6.478 0.119 -0.223 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 5.414 1.225 1.691 0.00 0.00 +0.163 C ATOM 27 C LIG 1 5.313 0.599 3.078 0.00 0.00 +0.041 C ATOM 28 C LIG 1 6.638 0.767 3.807 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 2 29 ATOM 29 N LIG 1 -1.746 -1.558 -0.709 0.00 0.00 -0.323 N ATOM 30 H LIG 1 -0.913 -1.690 -0.136 0.00 0.00 +0.148 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.682 -0.721 0.086 0.00 0.00 +0.034 C ATOM 32 C LIG 1 -3.906 -0.207 -0.710 0.00 0.00 +0.029 C ATOM 33 C LIG 1 -4.844 0.601 0.205 0.00 0.00 -0.008 C ATOM 34 C LIG 1 -5.338 -0.302 1.347 0.00 0.00 +0.007 C ATOM 35 C LIG 1 -4.143 -0.812 2.167 0.00 0.00 -0.008 C ATOM 36 C LIG 1 -3.378 0.387 2.751 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -2.875 1.295 1.617 0.00 0.00 -0.008 C ATOM 38 C LIG 1 -4.075 1.795 0.797 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -3.202 -1.609 1.248 0.00 0.00 +0.029 C ATOM 40 C LIG 1 -1.938 0.492 0.698 0.00 0.00 +0.029 C ENDBRANCH 29 31 ENDBRANCH 2 29 TORSDOF 4