REMARK Name = LIG001101 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.498 -0.789 0.048 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.592 0.079 0.202 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -1.874 -0.433 0.074 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -3.188 0.269 0.172 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -4.142 -0.825 0.023 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -3.516 -2.025 -0.282 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -4.031 -3.090 -0.562 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.072 -1.781 -0.204 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -1.027 -2.665 -0.371 0.00 0.00 +0.015 A ATOM 10 C LIG 1 0.269 -2.155 -0.242 0.00 0.00 +0.024 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.568 -0.621 -0.201 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -5.856 -0.001 -1.579 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -5.034 0.088 -2.488 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.138 0.471 -1.754 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -7.317 0.889 -2.658 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.000 0.857 -0.759 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -8.969 1.570 -1.003 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.707 0.337 0.629 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.209 0.247 0.878 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 21 ATOM 20 C LIG 1 2.328 0.874 0.500 0.00 0.00 +0.268 C ATOM 21 N LIG 1 1.845 -0.382 0.153 0.00 0.00 -0.280 N ATOM 22 H LIG 1 2.533 -1.105 0.008 0.00 0.00 +0.155 HD ATOM 23 O LIG 1 1.629 1.829 0.821 0.00 0.00 -0.268 OA BRANCH 20 29 ATOM 24 C LIG 1 7.368 -1.088 -1.021 0.00 0.00 +0.064 C ATOM 25 C LIG 1 7.239 0.189 -0.248 0.00 0.00 +0.022 A ATOM 26 N LIG 1 5.965 0.656 0.124 0.00 0.00 -0.303 N ATOM 27 C LIG 1 5.753 1.831 0.838 0.00 0.00 +0.139 A ATOM 28 N LIG 1 4.474 2.041 1.053 0.00 0.00 -0.223 NA ATOM 29 C LIG 1 3.801 0.978 0.473 0.00 0.00 +0.144 A ATOM 30 C LIG 1 6.897 2.590 1.206 0.00 0.00 +0.047 A ATOM 31 C LIG 1 8.123 2.159 0.860 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.718 0.116 -0.106 0.00 0.00 +0.126 A ATOM 33 C LIG 1 8.312 0.926 0.112 0.00 0.00 +0.021 A ENDBRANCH 20 29 ENDBRANCH 1 21 TORSDOF 3