REMARK Name = LIG000161 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.671 1.075 -0.373 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.377 -0.013 -1.177 0.00 0.00 +0.248 C ATOM 3 O LIG 1 5.083 -0.551 -2.005 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.992 -0.397 -0.883 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.471 0.520 0.023 0.00 0.00 -0.017 A ATOM 6 C LIG 1 1.164 0.399 0.471 0.00 0.00 +0.016 A ATOM 7 C LIG 1 0.365 -0.667 0.000 0.00 0.00 +0.001 A ATOM 8 C LIG 1 0.942 -1.586 -0.919 0.00 0.00 +0.011 A ATOM 9 C LIG 1 2.258 -1.456 -1.373 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.499 1.549 0.351 0.00 0.00 +0.144 C ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -1.036 -0.844 0.447 0.00 0.00 +0.072 A ATOM 12 N LIG 1 -1.424 -2.130 0.605 0.00 0.00 -0.243 NA ATOM 13 C LIG 1 -2.703 -2.311 1.007 0.00 0.00 +0.113 A ATOM 14 C LIG 1 -3.587 -1.270 1.249 0.00 0.00 +0.089 A ATOM 15 N LIG 1 -4.759 -1.880 1.615 0.00 0.00 -0.275 N ATOM 16 H LIG 1 -5.636 -1.437 1.861 0.00 0.00 +0.189 HD ATOM 17 N LIG 1 -4.707 -3.224 1.635 0.00 0.00 -0.176 NA ATOM 18 C LIG 1 -3.215 0.068 1.096 0.00 0.00 -0.004 A ATOM 19 C LIG 1 -3.447 -3.483 1.268 0.00 0.00 +0.092 A ATOM 20 C LIG 1 -1.885 0.246 0.674 0.00 0.00 +0.035 A BRANCH 19 21 ATOM 21 C LIG 1 -2.874 -4.919 1.124 0.00 0.00 +0.042 C ATOM 22 C LIG 1 -3.419 -6.037 1.975 0.00 0.00 +0.010 C ATOM 23 C LIG 1 -2.050 -5.488 2.250 0.00 0.00 +0.010 C ENDBRANCH 19 21 BRANCH 18 24 ATOM 24 C LIG 1 -4.120 1.252 1.329 0.00 0.00 +0.121 C BRANCH 24 25 ATOM 25 N LIG 1 -4.349 2.028 0.111 0.00 0.00 -0.298 NA ATOM 26 C LIG 1 -5.138 1.318 -0.899 0.00 0.00 +0.085 C ATOM 27 C LIG 1 -5.588 2.428 -1.840 0.00 0.00 +0.017 C ATOM 28 C LIG 1 -5.507 3.709 -1.018 0.00 0.00 +0.017 C ATOM 29 C LIG 1 -5.096 3.259 0.374 0.00 0.00 +0.085 C ENDBRANCH 24 25 ENDBRANCH 18 24 ENDBRANCH 7 11 BRANCH 1 36 ATOM 30 O LIG 1 8.726 1.228 -3.429 0.00 0.00 -0.275 OA ATOM 31 C LIG 1 7.891 1.378 -2.538 0.00 0.00 +0.219 C ATOM 32 N LIG 1 6.940 2.358 -2.638 0.00 0.00 -0.255 N ATOM 33 H LIG 1 6.942 2.875 -3.506 0.00 0.00 +0.158 HD ATOM 34 C LIG 1 5.923 2.654 -1.767 0.00 0.00 +0.240 C ATOM 35 O LIG 1 5.062 3.482 -2.067 0.00 0.00 -0.273 OA ATOM 36 C LIG 1 5.884 1.881 -0.449 0.00 0.00 +0.163 C ATOM 37 C LIG 1 7.187 1.153 -0.127 0.00 0.00 +0.041 C ATOM 38 C LIG 1 7.853 0.491 -1.320 0.00 0.00 +0.098 C ENDBRANCH 1 36 TORSDOF 5