REMARK Name = LIG001494 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.003 0.117 -1.052 0.00 0.00 -0.306 N ATOM 2 H LIG 1 -0.173 0.704 -0.242 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 0.955 0.553 -1.942 0.00 0.00 +0.262 C ATOM 4 O LIG 1 1.334 -0.061 -2.926 0.00 0.00 -0.269 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 1.534 1.929 -1.601 0.00 0.00 +0.145 C ATOM 6 N LIG 1 0.875 2.654 -0.735 0.00 0.00 -0.087 NA BRANCH 6 7 ATOM 7 O LIG 1 1.505 3.880 -0.499 0.00 0.00 -0.409 OA ATOM 8 H LIG 1 0.913 4.304 0.152 0.00 0.00 +0.328 HD ENDBRANCH 6 7 BRANCH 5 9 ATOM 9 C LIG 1 2.831 2.297 -2.287 0.00 0.00 +0.099 C BRANCH 9 10 ATOM 10 C LIG 1 4.024 1.647 -1.629 0.00 0.00 -0.041 A ATOM 11 C LIG 1 4.554 0.456 -2.127 0.00 0.00 +0.006 A ATOM 12 C LIG 1 5.645 -0.159 -1.496 0.00 0.00 +0.023 A ATOM 13 C LIG 1 6.248 0.383 -0.351 0.00 0.00 +0.030 A ATOM 14 C LIG 1 5.687 1.573 0.139 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.598 2.198 -0.484 0.00 0.00 +0.006 A BRANCH 13 16 ATOM 16 N LIG 1 7.321 -0.228 0.274 0.00 0.00 -0.326 N ATOM 17 C LIG 1 8.252 0.529 1.126 0.00 0.00 +0.133 C ATOM 18 C LIG 1 9.671 -0.058 1.017 0.00 0.00 +0.178 C ATOM 19 O LIG 1 9.765 -1.440 1.386 0.00 0.00 -0.377 OA ATOM 20 C LIG 1 8.557 -2.175 1.142 0.00 0.00 +0.178 C ATOM 21 C LIG 1 7.707 -1.618 -0.012 0.00 0.00 +0.133 C ENDBRANCH 13 16 ENDBRANCH 9 10 ENDBRANCH 5 9 ENDBRANCH 3 5 BRANCH 1 22 ATOM 22 C LIG 1 -0.560 -1.203 -1.128 0.00 0.00 +0.140 C BRANCH 22 29 ATOM 23 N LIG 1 -6.290 -0.936 0.874 0.00 0.00 -0.282 N ATOM 24 C LIG 1 -5.420 -1.355 1.871 0.00 0.00 +0.248 C ATOM 25 O LIG 1 -5.683 -1.631 3.026 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 -4.082 -1.407 1.274 0.00 0.00 +0.042 A ATOM 27 C LIG 1 -4.175 -0.950 -0.039 0.00 0.00 -0.018 A ATOM 28 C LIG 1 -3.045 -0.884 -0.837 0.00 0.00 +0.011 A ATOM 29 C LIG 1 -1.813 -1.296 -0.296 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -1.744 -1.747 1.044 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -2.889 -1.806 1.843 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -5.583 -0.564 -0.346 0.00 0.00 +0.144 C BRANCH 23 39 ATOM 33 O LIG 1 -11.073 1.665 0.469 0.00 0.00 -0.275 OA ATOM 34 C LIG 1 -10.112 0.969 0.785 0.00 0.00 +0.219 C ATOM 35 N LIG 1 -9.037 1.504 1.447 0.00 0.00 -0.255 N ATOM 36 H LIG 1 -9.084 2.508 1.568 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 -7.756 1.002 1.402 0.00 0.00 +0.240 C ATOM 38 O LIG 1 -6.793 1.755 1.526 0.00 0.00 -0.273 OA ATOM 39 C LIG 1 -7.655 -0.516 1.170 0.00 0.00 +0.163 C ATOM 40 C LIG 1 -8.639 -0.919 0.076 0.00 0.00 +0.041 C ATOM 41 C LIG 1 -10.045 -0.509 0.483 0.00 0.00 +0.098 C ENDBRANCH 23 39 ENDBRANCH 22 29 ENDBRANCH 1 22 TORSDOF 8