REMARK Name = LIG000150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.509 0.080 -0.670 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -4.308 1.164 0.172 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -5.136 1.911 0.654 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.863 1.252 0.411 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -2.253 0.171 -0.216 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -0.879 0.005 -0.142 0.00 0.00 +0.029 A ATOM 7 C LIG 1 -0.118 0.947 0.574 0.00 0.00 +0.034 A ATOM 8 C LIG 1 -0.762 2.034 1.199 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -2.151 2.193 1.124 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -3.284 -0.679 -0.879 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -9.843 -1.297 -0.493 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -8.661 -0.982 -0.604 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -7.726 -1.420 0.299 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -8.077 -1.980 1.063 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -6.357 -1.300 0.223 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -5.635 -1.905 1.014 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -5.817 -0.495 -0.970 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.850 0.530 -1.438 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -8.148 -0.184 -1.780 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 N LIG 1 1.276 0.736 0.617 0.00 0.00 -0.282 N ATOM 21 H LIG 1 1.614 -0.086 0.132 0.00 0.00 +0.155 HD ATOM 22 C LIG 1 2.217 1.481 1.297 0.00 0.00 +0.248 C ATOM 23 O LIG 1 2.019 2.429 2.045 0.00 0.00 -0.270 OA BRANCH 22 24 ATOM 24 C LIG 1 3.607 0.982 1.115 0.00 0.00 +0.052 C ATOM 25 C LIG 1 4.449 0.950 2.355 0.00 0.00 +0.269 C ATOM 26 O LIG 1 5.625 0.123 2.276 0.00 0.00 -0.487 OA ATOM 27 C LIG 1 6.180 -0.026 1.034 0.00 0.00 +0.129 A ATOM 28 C LIG 1 5.481 0.222 -0.152 0.00 0.00 +0.017 A ATOM 29 C LIG 1 6.118 0.018 -1.379 0.00 0.00 +0.012 A ATOM 30 C LIG 1 7.440 -0.435 -1.418 0.00 0.00 +0.013 A ATOM 31 C LIG 1 8.139 -0.706 -0.231 0.00 0.00 +0.058 A ATOM 32 C LIG 1 7.495 -0.494 0.997 0.00 0.00 +0.058 A ATOM 33 C LIG 1 4.091 0.658 -0.091 0.00 0.00 +0.023 C BRANCH 31 34 ATOM 34 C LIG 1 9.570 -1.180 -0.270 0.00 0.00 +0.418 C ATOM 35 F LIG 1 9.867 -1.886 -1.398 0.00 0.00 -0.166 F ATOM 36 F LIG 1 10.458 -0.150 -0.231 0.00 0.00 -0.166 F ATOM 37 F LIG 1 9.893 -1.996 0.771 0.00 0.00 -0.166 F ENDBRANCH 31 34 ENDBRANCH 22 24 ENDBRANCH 7 20 TORSDOF 4