REMARK Name = LIG001244 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.416 -0.787 -1.380 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.134 -0.824 -0.169 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -2.325 -0.120 -0.075 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -3.269 0.011 1.073 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -4.337 0.829 0.516 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -4.049 1.261 -0.768 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -4.673 2.039 -1.459 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.788 0.620 -1.159 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.101 0.697 -2.355 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -0.903 -0.021 -2.459 0.00 0.00 +0.024 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.448 1.286 1.346 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -5.282 2.764 1.690 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -4.374 3.166 2.416 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -6.160 3.641 1.112 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -6.025 4.615 1.335 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -7.203 3.366 0.265 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -7.932 4.269 -0.134 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.406 1.933 -0.157 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.843 0.941 0.840 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 21 ATOM 20 C LIG 1 1.616 -1.725 -2.518 0.00 0.00 +0.222 C ATOM 21 N LIG 1 0.779 -1.536 -1.429 0.00 0.00 -0.285 N ATOM 22 H LIG 1 1.055 -1.980 -0.563 0.00 0.00 +0.155 HD ATOM 23 O LIG 1 1.464 -1.260 -3.645 0.00 0.00 -0.275 OA BRANCH 20 24 ATOM 24 C LIG 1 2.813 -2.614 -2.200 0.00 0.00 +0.131 C BRANCH 24 29 ATOM 25 C LIG 1 5.294 -1.147 2.241 0.00 0.00 +0.121 A ATOM 26 C LIG 1 5.961 -0.557 1.165 0.00 0.00 +0.054 A ATOM 27 C LIG 1 5.546 -0.785 -0.163 0.00 0.00 -0.014 A ATOM 28 C LIG 1 4.428 -1.620 -0.433 0.00 0.00 -0.014 A ATOM 29 C LIG 1 4.028 -1.807 -1.789 0.00 0.00 -0.031 A ATOM 30 C LIG 1 4.753 -1.181 -2.824 0.00 0.00 +0.005 A ATOM 31 C LIG 1 5.857 -0.383 -2.545 0.00 0.00 +0.001 A ATOM 32 C LIG 1 3.784 -2.220 0.676 0.00 0.00 +0.012 A ATOM 33 C LIG 1 6.245 -0.182 -1.224 0.00 0.00 +0.008 A ATOM 34 C LIG 1 4.211 -1.983 1.988 0.00 0.00 +0.046 A BRANCH 25 36 ATOM 35 C LIG 1 6.675 -0.126 3.887 0.00 0.00 +0.277 C ATOM 36 O LIG 1 5.597 -0.999 3.567 0.00 0.00 -0.495 OA ENDBRANCH 25 36 ENDBRANCH 24 29 ENDBRANCH 20 24 ENDBRANCH 1 21 TORSDOF 5