REMARK Name = LIG001998 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.702 -2.036 0.079 0.00 0.00 +0.167 A ATOM 2 C LIG 1 -2.826 -0.921 -0.087 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -3.635 0.129 -0.489 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -3.124 1.404 -0.752 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -1.734 1.510 -0.568 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -0.969 0.411 -0.162 0.00 0.00 +0.075 A ATOM 7 N LIG 1 -4.893 -0.404 -0.529 0.00 0.00 -0.273 N ATOM 8 H LIG 1 -5.756 0.067 -0.773 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 -1.483 -0.814 0.082 0.00 0.00 -0.242 NA ATOM 10 N LIG 1 -4.965 -1.706 -0.206 0.00 0.00 -0.156 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.480 0.531 0.056 0.00 0.00 +0.036 A ATOM 12 C LIG 1 1.383 -0.341 -0.580 0.00 0.00 +0.138 A ATOM 13 F LIG 1 0.954 -1.284 -1.431 0.00 0.00 -0.204 F ATOM 14 C LIG 1 2.738 -0.214 -0.357 0.00 0.00 +0.018 A ATOM 15 C LIG 1 3.864 -1.022 -0.894 0.00 0.00 +0.147 C ATOM 16 N LIG 1 5.031 -0.327 -0.363 0.00 0.00 -0.282 N ATOM 17 C LIG 1 4.675 0.669 0.535 0.00 0.00 +0.248 C ATOM 18 O LIG 1 5.395 1.342 1.247 0.00 0.00 -0.270 OA ATOM 19 C LIG 1 3.213 0.774 0.495 0.00 0.00 +0.044 A ATOM 20 C LIG 1 2.377 1.655 1.152 0.00 0.00 +0.014 A ATOM 21 C LIG 1 1.002 1.527 0.925 0.00 0.00 +0.013 A BRANCH 16 22 ATOM 22 C LIG 1 6.367 -0.905 -0.463 0.00 0.00 +0.163 C ATOM 23 C LIG 1 6.666 -1.823 0.732 0.00 0.00 +0.240 C ATOM 24 O LIG 1 5.801 -2.461 1.331 0.00 0.00 -0.273 OA ATOM 25 N LIG 1 7.996 -1.997 1.041 0.00 0.00 -0.255 N ATOM 26 H LIG 1 8.192 -2.627 1.807 0.00 0.00 +0.158 HD ATOM 27 C LIG 1 9.088 -1.487 0.385 0.00 0.00 +0.219 C ATOM 28 O LIG 1 10.227 -1.821 0.698 0.00 0.00 -0.275 OA ATOM 29 C LIG 1 8.811 -0.575 -0.787 0.00 0.00 +0.098 C ATOM 30 C LIG 1 7.475 0.135 -0.631 0.00 0.00 +0.041 C ENDBRANCH 16 22 ENDBRANCH 6 11 BRANCH 1 31 ATOM 31 N LIG 1 -3.260 -3.253 0.476 0.00 0.00 -0.324 N ATOM 32 H LIG 1 -2.251 -3.389 0.487 0.00 0.00 +0.148 HD BRANCH 31 34 ATOM 33 C LIG 1 -3.887 -4.994 -1.118 0.00 0.00 +0.027 C ATOM 34 C LIG 1 -4.060 -4.453 0.299 0.00 0.00 +0.066 C ATOM 35 C LIG 1 -3.611 -5.493 1.325 0.00 0.00 +0.027 C ENDBRANCH 31 34 ENDBRANCH 1 31 BRANCH 4 36 ATOM 36 C LIG 1 -3.943 2.595 -1.180 0.00 0.00 +0.121 C BRANCH 36 37 ATOM 37 N LIG 1 -3.920 3.671 -0.189 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 -4.583 4.881 -0.676 0.00 0.00 +0.085 C ATOM 39 C LIG 1 -4.756 5.709 0.587 0.00 0.00 +0.017 C ATOM 40 C LIG 1 -4.812 4.692 1.722 0.00 0.00 +0.017 C ATOM 41 C LIG 1 -4.619 3.337 1.055 0.00 0.00 +0.085 C ENDBRANCH 36 37 ENDBRANCH 4 36 TORSDOF 6