REMARK Name = LIG000551 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.511 -0.137 -0.050 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -4.045 1.042 0.308 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -3.140 2.029 0.343 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.792 1.932 0.061 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -1.164 3.150 0.221 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -2.125 3.976 0.577 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -1.316 0.662 -0.305 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -3.340 3.345 0.663 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -2.215 -0.358 -0.346 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.611 3.954 1.028 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -5.025 5.035 0.030 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.585 4.496 2.457 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -4.424 -1.167 -0.110 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -5.271 -0.840 0.341 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.075 -2.558 0.178 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -2.542 -2.351 2.278 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -3.861 -2.822 1.682 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -2.998 -3.150 -0.747 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -3.003 -4.578 -0.662 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -2.339 -4.891 -1.301 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 0.031 0.453 -0.619 0.00 0.00 -0.323 N ATOM 22 H LIG 1 0.588 1.238 -0.283 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.542 -0.852 -0.250 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.038 -0.884 -0.463 0.00 0.00 -0.030 A ATOM 25 C LIG 1 2.575 -0.761 -1.751 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.960 -0.788 -1.954 0.00 0.00 +0.010 A ATOM 27 C LIG 1 4.856 -0.943 -0.881 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.299 -1.052 0.406 0.00 0.00 +0.010 A ATOM 29 C LIG 1 2.916 -1.025 0.616 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 6.323 -0.981 -1.074 0.00 0.00 +0.071 A ATOM 31 N LIG 1 7.068 -0.524 -0.034 0.00 0.00 -0.251 NA ATOM 32 C LIG 1 8.415 -0.536 -0.165 0.00 0.00 +0.156 A ATOM 33 C LIG 1 9.073 -0.994 -1.292 0.00 0.00 +0.135 A ATOM 34 C LIG 1 8.318 -1.471 -2.349 0.00 0.00 +0.049 A ATOM 35 C LIG 1 6.926 -1.466 -2.239 0.00 0.00 +0.032 A BRANCH 33 36 ATOM 36 O LIG 1 10.433 -0.969 -1.331 0.00 0.00 -0.505 OA ATOM 37 H LIG 1 10.728 -1.318 -2.188 0.00 0.00 +0.292 HD ENDBRANCH 33 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 11