REMARK Name = LIG001273 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.946 -0.947 -0.703 0.00 0.00 +0.115 A ATOM 2 N LIG 1 0.916 -0.370 -1.938 0.00 0.00 -0.129 NA ATOM 3 N LIG 1 -0.343 -0.048 -2.207 0.00 0.00 -0.064 NA ATOM 4 N LIG 1 -1.091 -0.422 -1.151 0.00 0.00 -0.239 N ATOM 5 C LIG 1 -0.324 -1.000 -0.182 0.00 0.00 +0.139 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -2.496 -0.048 -1.118 0.00 0.00 +0.195 C ATOM 7 C LIG 1 -3.373 -1.105 -0.470 0.00 0.00 +0.244 C ATOM 8 O LIG 1 -3.112 -2.306 -0.452 0.00 0.00 -0.273 OA ATOM 9 N LIG 1 -4.555 -0.658 0.080 0.00 0.00 -0.255 N ATOM 10 H LIG 1 -5.148 -1.367 0.493 0.00 0.00 +0.158 HD ATOM 11 C LIG 1 -5.011 0.633 0.182 0.00 0.00 +0.219 C ATOM 12 O LIG 1 -6.090 0.884 0.710 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -4.145 1.699 -0.443 0.00 0.00 +0.099 C ATOM 14 C LIG 1 -2.679 1.299 -0.416 0.00 0.00 +0.045 C ENDBRANCH 4 6 BRANCH 1 16 ATOM 15 C LIG 1 3.367 -0.627 0.052 0.00 0.00 +0.104 A ATOM 16 C LIG 1 2.192 -1.425 -0.120 0.00 0.00 +0.035 A ATOM 17 C LIG 1 2.370 -2.714 0.340 0.00 0.00 +0.057 A ATOM 18 S LIG 1 3.955 -2.979 0.922 0.00 0.00 -0.102 S ATOM 19 C LIG 1 4.410 -1.364 0.577 0.00 0.00 +0.072 A BRANCH 15 21 ATOM 20 C LIG 1 4.874 1.690 0.540 0.00 0.00 +0.200 C ATOM 21 S LIG 1 3.474 1.060 -0.342 0.00 0.00 -0.005 S ATOM 22 O LIG 1 2.285 1.650 0.240 0.00 0.00 -0.170 OA ATOM 23 O LIG 1 3.775 1.087 -1.756 0.00 0.00 -0.170 OA ENDBRANCH 15 21 ENDBRANCH 1 16 TORSDOF 3