REMARK Name = LIG001415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.005 0.474 -1.323 0.00 0.00 +0.248 C ATOM 2 N LIG 1 1.022 -0.022 -0.551 0.00 0.00 -0.300 N ATOM 3 H LIG 1 0.908 0.096 0.455 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.114 0.648 -2.532 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 2.379 -0.145 -1.064 0.00 0.00 +0.160 C ATOM 6 C LIG 1 3.307 -0.374 0.135 0.00 0.00 +0.240 C ATOM 7 O LIG 1 3.465 0.468 1.020 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 3.843 -1.630 0.276 0.00 0.00 -0.255 N ATOM 9 H LIG 1 4.389 -1.770 1.115 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 3.346 -2.781 -0.278 0.00 0.00 +0.219 C ATOM 11 O LIG 1 3.622 -3.878 0.200 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 2.389 -2.623 -1.434 0.00 0.00 +0.098 C ATOM 13 C LIG 1 2.547 -1.262 -2.093 0.00 0.00 +0.041 C ENDBRANCH 2 5 BRANCH 1 15 ATOM 14 C LIG 1 -1.469 0.871 0.762 0.00 0.00 +0.134 A ATOM 15 C LIG 1 -1.300 0.793 -0.634 0.00 0.00 +0.078 A ATOM 16 C LIG 1 -2.398 1.058 -1.469 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -3.651 1.358 -0.932 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -3.847 1.356 0.447 0.00 0.00 +0.028 A ATOM 19 C LIG 1 -2.742 1.161 1.283 0.00 0.00 +0.069 A BRANCH 18 20 ATOM 20 N LIG 1 -5.074 1.762 0.983 0.00 0.00 -0.358 N ATOM 21 H LIG 1 -5.247 1.438 1.929 0.00 0.00 +0.142 HD ATOM 22 H LIG 1 -5.868 1.600 0.370 0.00 0.00 +0.142 HD ENDBRANCH 18 20 BRANCH 14 24 ATOM 23 C LIG 1 -0.438 1.076 2.912 0.00 0.00 +0.277 C ATOM 24 O LIG 1 -0.369 0.650 1.554 0.00 0.00 -0.494 OA ENDBRANCH 14 24 ENDBRANCH 1 15 TORSDOF 4