REMARK Name = LIG001526 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.599 0.540 0.509 0.00 0.00 +0.123 A ATOM 2 C LIG 1 2.459 1.247 0.902 0.00 0.00 +0.059 A ATOM 3 C LIG 1 1.232 0.706 0.580 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -0.113 1.217 0.826 0.00 0.00 +0.255 C ATOM 5 N LIG 1 -0.985 0.286 0.332 0.00 0.00 -0.222 N ATOM 6 C LIG 1 -0.322 -0.756 -0.258 0.00 0.00 +0.256 C ATOM 7 O LIG 1 -0.783 -1.736 -0.813 0.00 0.00 -0.269 OA ATOM 8 O LIG 1 -0.359 2.270 1.383 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.110 -0.496 -0.091 0.00 0.00 +0.070 A ATOM 10 C LIG 1 2.213 -1.247 -0.464 0.00 0.00 +0.041 A ATOM 11 C LIG 1 3.471 -0.686 -0.182 0.00 0.00 +0.069 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -2.424 0.499 0.285 0.00 0.00 +0.171 C ATOM 13 C LIG 1 -2.823 0.956 -1.122 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -2.049 1.486 -1.917 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -4.153 0.800 -1.444 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -4.422 1.111 -2.367 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -5.123 0.147 -0.725 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -6.263 0.023 -1.164 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -4.730 -0.349 0.648 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -3.253 -0.712 0.701 0.00 0.00 +0.041 C ENDBRANCH 5 12 BRANCH 10 21 ATOM 21 N LIG 1 2.112 -2.382 -1.269 0.00 0.00 -0.357 N ATOM 22 H LIG 1 2.864 -3.057 -1.185 0.00 0.00 +0.142 HD ATOM 23 H LIG 1 1.184 -2.812 -1.273 0.00 0.00 +0.142 HD ENDBRANCH 10 21 BRANCH 1 25 ATOM 24 C LIG 1 5.979 0.510 0.425 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.779 1.147 0.844 0.00 0.00 -0.495 OA ENDBRANCH 1 25 TORSDOF 3