REMARK Name = LIG000686 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.398 -0.526 -0.467 0.00 0.00 +0.245 C ATOM 2 N LIG 1 -0.601 0.252 0.079 0.00 0.00 -0.300 N ATOM 3 H LIG 1 -0.341 1.117 0.544 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.185 -1.368 -1.332 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -1.960 0.197 -0.442 0.00 0.00 +0.160 C ATOM 6 C LIG 1 -2.723 1.428 0.057 0.00 0.00 +0.240 C ATOM 7 O LIG 1 -2.158 2.425 0.507 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 -4.091 1.370 -0.040 0.00 0.00 -0.255 N ATOM 9 H LIG 1 -4.586 2.181 0.307 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 -4.844 0.226 -0.121 0.00 0.00 +0.219 C ATOM 11 O LIG 1 -6.049 0.247 0.110 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -4.120 -1.033 -0.538 0.00 0.00 +0.098 C ATOM 13 C LIG 1 -2.700 -1.059 0.007 0.00 0.00 +0.041 C ENDBRANCH 2 5 BRANCH 1 17 ATOM 14 C LIG 1 4.440 0.122 0.868 0.00 0.00 +0.025 A ATOM 15 C LIG 1 3.368 0.514 1.675 0.00 0.00 +0.023 A ATOM 16 C LIG 1 2.046 0.298 1.268 0.00 0.00 +0.015 A ATOM 17 C LIG 1 1.783 -0.272 0.018 0.00 0.00 +0.037 A ATOM 18 C LIG 1 2.853 -0.626 -0.811 0.00 0.00 +0.015 A ATOM 19 C LIG 1 4.170 -0.405 -0.396 0.00 0.00 +0.023 A BRANCH 14 20 ATOM 20 N LIG 1 5.750 0.453 1.229 0.00 0.00 -0.358 N ATOM 21 H LIG 1 5.899 0.524 2.230 0.00 0.00 +0.142 HD ATOM 22 H LIG 1 6.459 -0.114 0.773 0.00 0.00 +0.142 HD ENDBRANCH 14 20 ENDBRANCH 1 17 TORSDOF 3