REMARK Name = LIG000324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.107 0.769 -4.372 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -1.074 0.540 -3.408 0.00 0.00 -0.284 N ATOM 3 H LIG 1 -0.768 0.817 -2.476 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.183 0.506 -5.567 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -2.340 -0.046 -3.553 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -3.119 -0.245 -2.421 0.00 0.00 +0.003 A ATOM 7 C LIG 1 -2.845 0.079 -0.989 0.00 0.00 +0.146 C ATOM 8 N LIG 1 -4.005 -0.462 -0.298 0.00 0.00 -0.282 N ATOM 9 C LIG 1 -4.973 -0.903 -1.186 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -6.104 -1.278 -0.948 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -4.387 -0.819 -2.528 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -4.935 -1.214 -3.732 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -4.161 -1.024 -4.873 0.00 0.00 +0.003 A ATOM 14 C LIG 1 -2.877 -0.447 -4.784 0.00 0.00 +0.023 A BRANCH 8 15 ATOM 15 C LIG 1 -4.250 -0.174 1.112 0.00 0.00 +0.163 C ATOM 16 C LIG 1 -5.027 1.140 1.283 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -4.928 2.092 0.510 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 -5.769 1.256 2.436 0.00 0.00 -0.255 N ATOM 19 H LIG 1 -6.253 2.135 2.564 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 -5.846 0.371 3.482 0.00 0.00 +0.219 C ATOM 21 O LIG 1 -6.440 0.664 4.516 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -5.091 -0.929 3.328 0.00 0.00 +0.098 C ATOM 23 C LIG 1 -4.943 -1.310 1.863 0.00 0.00 +0.041 C ENDBRANCH 8 15 ENDBRANCH 2 5 BRANCH 1 24 ATOM 24 C LIG 1 1.143 1.438 -3.777 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 N LIG 1 1.135 1.379 -2.299 0.00 0.00 -0.320 N ATOM 26 H LIG 1 1.510 2.239 -1.890 0.00 0.00 +0.148 HD BRANCH 25 29 ATOM 27 C LIG 1 3.518 -0.128 -0.143 0.00 0.00 +0.221 A ATOM 28 N LIG 1 2.750 0.787 -0.762 0.00 0.00 -0.199 NA ATOM 29 C LIG 1 1.926 0.373 -1.734 0.00 0.00 +0.124 A ATOM 30 C LIG 1 1.825 -0.951 -2.093 0.00 0.00 +0.063 A ATOM 31 C LIG 1 2.641 -1.818 -1.415 0.00 0.00 +0.118 A ATOM 32 N LIG 1 3.488 -1.432 -0.448 0.00 0.00 -0.223 NA BRANCH 27 33 ATOM 33 N LIG 1 4.351 0.374 0.846 0.00 0.00 -0.281 N ATOM 34 H LIG 1 4.239 1.375 0.944 0.00 0.00 +0.155 HD BRANCH 33 36 ATOM 35 C LIG 1 5.958 0.690 2.628 0.00 0.00 +0.141 A ATOM 36 C LIG 1 5.294 -0.179 1.728 0.00 0.00 +0.076 A ATOM 37 C LIG 1 5.611 -1.541 1.763 0.00 0.00 +0.027 A ATOM 38 C LIG 1 6.558 -2.036 2.663 0.00 0.00 +0.002 A ATOM 39 C LIG 1 7.204 -1.173 3.542 0.00 0.00 +0.004 A ATOM 40 C LIG 1 6.906 0.189 3.527 0.00 0.00 +0.047 A BRANCH 35 42 ATOM 41 C LIG 1 6.237 2.930 3.409 0.00 0.00 +0.277 C ATOM 42 O LIG 1 5.592 2.016 2.532 0.00 0.00 -0.493 OA ENDBRANCH 35 42 ENDBRANCH 33 36 ENDBRANCH 27 33 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 8