REMARK Name = LIG001663 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.253 0.420 0.242 0.00 0.00 -0.282 N ATOM 2 C LIG 1 2.814 -0.697 0.937 0.00 0.00 +0.248 C ATOM 3 O LIG 1 3.459 -1.468 1.619 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.373 -0.811 0.688 0.00 0.00 +0.042 A ATOM 5 C LIG 1 1.008 0.186 -0.210 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -0.310 0.312 -0.625 0.00 0.00 +0.029 A ATOM 7 C LIG 1 -1.261 -0.588 -0.124 0.00 0.00 +0.034 A ATOM 8 C LIG 1 -0.863 -1.595 0.787 0.00 0.00 +0.024 A ATOM 9 C LIG 1 0.468 -1.716 1.201 0.00 0.00 +0.015 A ATOM 10 C LIG 1 2.207 0.980 -0.605 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 8.746 0.172 -0.109 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 7.529 0.304 -0.011 0.00 0.00 +0.219 C ATOM 13 N LIG 1 6.678 -0.324 -0.885 0.00 0.00 -0.255 N ATOM 14 H LIG 1 7.112 -0.918 -1.578 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 5.313 -0.180 -0.988 0.00 0.00 +0.240 C ATOM 16 O LIG 1 4.702 -0.705 -1.918 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 4.657 0.761 0.035 0.00 0.00 +0.163 C ATOM 18 C LIG 1 5.474 0.804 1.326 0.00 0.00 +0.041 C ATOM 19 C LIG 1 6.899 1.227 1.005 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 N LIG 1 -2.629 -0.551 -0.466 0.00 0.00 -0.280 N ATOM 21 H LIG 1 -3.205 -1.272 -0.051 0.00 0.00 +0.155 HD ATOM 22 C LIG 1 -3.254 0.285 -1.376 0.00 0.00 +0.267 C ATOM 23 O LIG 1 -2.684 1.088 -2.103 0.00 0.00 -0.268 OA BRANCH 22 24 ATOM 24 C LIG 1 -4.679 0.088 -1.449 0.00 0.00 +0.129 A ATOM 25 N LIG 1 -5.586 0.006 -0.409 0.00 0.00 -0.296 N ATOM 26 C LIG 1 -6.834 -0.231 -0.985 0.00 0.00 +0.138 A ATOM 27 C LIG 1 -7.941 -0.401 -0.106 0.00 0.00 +0.047 A ATOM 28 C LIG 1 -7.763 -0.298 1.225 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -6.458 -0.005 1.794 0.00 0.00 +0.018 A ATOM 30 N LIG 1 -6.769 -0.235 -2.298 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -5.404 0.139 0.972 0.00 0.00 +0.093 A ATOM 32 C LIG 1 -5.453 -0.001 -2.592 0.00 0.00 +0.144 A ENDBRANCH 22 24 ENDBRANCH 7 20 TORSDOF 3