REMARK Name = LIG001029 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.344 0.864 -0.094 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.020 -0.283 -0.260 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.212 -1.347 -0.356 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -0.831 -1.351 -0.300 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.334 -2.629 -0.452 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.402 -3.389 -0.579 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.206 -0.107 -0.123 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.562 -2.659 -0.527 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.003 0.990 -0.030 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.919 -3.175 -0.632 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.252 -4.119 0.523 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.166 -3.842 -1.985 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.028 2.062 0.019 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -2.351 2.732 0.371 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.325 2.101 0.706 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -5.441 1.886 3.008 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -4.200 1.623 2.167 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -5.435 1.392 -0.098 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -6.710 1.978 0.172 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -7.345 1.545 -0.424 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 1.187 0.005 -0.035 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.620 -0.850 -0.380 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.722 1.235 -0.583 0.00 0.00 +0.139 C BRANCH 23 24 ATOM 24 C LIG 1 3.224 1.184 -0.537 0.00 0.00 -0.012 A ATOM 25 C LIG 1 3.908 1.425 0.647 0.00 0.00 +0.116 A ATOM 26 N LIG 1 5.256 1.393 0.768 0.00 0.00 -0.255 NA ATOM 27 C LIG 1 5.990 1.097 -0.335 0.00 0.00 +0.071 A ATOM 28 C LIG 1 5.380 0.819 -1.558 0.00 0.00 +0.029 A ATOM 29 C LIG 1 3.989 0.862 -1.658 0.00 0.00 +0.009 A BRANCH 27 30 ATOM 30 C LIG 1 7.455 1.078 -0.139 0.00 0.00 +0.003 A ATOM 31 C LIG 1 8.005 0.759 1.111 0.00 0.00 +0.030 A ATOM 32 C LIG 1 9.382 0.744 1.271 0.00 0.00 +0.111 A ATOM 33 N LIG 1 10.254 1.024 0.282 0.00 0.00 -0.263 NA ATOM 34 C LIG 1 9.720 1.343 -0.914 0.00 0.00 +0.111 A ATOM 35 C LIG 1 8.357 1.383 -1.169 0.00 0.00 +0.030 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10