REMARK Name = LIG000591 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.672 -0.129 -1.489 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -0.907 0.010 -2.470 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.836 -0.506 -0.853 0.00 0.00 +0.149 C ATOM 4 C LIG 1 -1.746 -0.719 0.578 0.00 0.00 +0.143 A ATOM 5 C LIG 1 -2.862 -1.138 1.245 0.00 0.00 +0.128 A ATOM 6 N LIG 1 -2.522 -1.231 2.554 0.00 0.00 -0.333 N ATOM 7 H LIG 1 -3.111 -1.527 3.318 0.00 0.00 +0.168 HD ATOM 8 C LIG 1 -1.202 -0.857 2.635 0.00 0.00 +0.198 A ATOM 9 N LIG 1 -4.054 -1.387 0.689 0.00 0.00 -0.304 N ATOM 10 H LIG 1 -4.926 -1.423 1.206 0.00 0.00 +0.150 HD ATOM 11 C LIG 1 -4.175 -1.021 -0.728 0.00 0.00 +0.223 C ATOM 12 N LIG 1 -0.706 -0.527 1.458 0.00 0.00 -0.231 NA ATOM 13 N LIG 1 -2.961 -0.624 -1.484 0.00 0.00 -0.240 NA BRANCH 11 14 ATOM 14 C LIG 1 -5.253 0.051 -0.851 0.00 0.00 -0.005 A ATOM 15 C LIG 1 -6.519 -0.265 -1.376 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -7.510 0.713 -1.472 0.00 0.00 +0.039 A ATOM 17 C LIG 1 -7.242 2.008 -1.043 0.00 0.00 +0.123 A ATOM 18 F LIG 1 -8.196 2.944 -1.135 0.00 0.00 -0.205 F ATOM 19 C LIG 1 -6.001 2.344 -0.517 0.00 0.00 +0.039 A ATOM 20 C LIG 1 -5.008 1.368 -0.420 0.00 0.00 +0.010 A ENDBRANCH 11 14 ENDBRANCH 1 3 BRANCH 1 26 ATOM 21 N LIG 1 3.410 0.655 0.000 0.00 0.00 -0.282 N ATOM 22 C LIG 1 3.891 -0.605 -0.304 0.00 0.00 +0.248 C ATOM 23 O LIG 1 5.008 -1.046 -0.122 0.00 0.00 -0.270 OA ATOM 24 C LIG 1 2.784 -1.347 -0.914 0.00 0.00 +0.043 A ATOM 25 C LIG 1 1.664 -0.518 -0.933 0.00 0.00 +0.003 A ATOM 26 C LIG 1 0.461 -0.976 -1.442 0.00 0.00 +0.038 A ATOM 27 C LIG 1 0.424 -2.288 -1.945 0.00 0.00 +0.023 A ATOM 28 C LIG 1 1.566 -3.113 -1.921 0.00 0.00 +0.003 A ATOM 29 C LIG 1 2.769 -2.641 -1.398 0.00 0.00 +0.013 A ATOM 30 C LIG 1 1.995 0.798 -0.316 0.00 0.00 +0.146 C BRANCH 21 37 ATOM 31 O LIG 1 7.845 0.612 2.275 0.00 0.00 -0.275 OA ATOM 32 C LIG 1 6.733 0.912 1.846 0.00 0.00 +0.219 C ATOM 33 N LIG 1 6.602 1.655 0.701 0.00 0.00 -0.255 N ATOM 34 H LIG 1 7.463 1.863 0.217 0.00 0.00 +0.158 HD ATOM 35 C LIG 1 5.449 2.033 0.058 0.00 0.00 +0.240 C ATOM 36 O LIG 1 5.497 2.585 -1.042 0.00 0.00 -0.273 OA ATOM 37 C LIG 1 4.127 1.682 0.745 0.00 0.00 +0.163 C ATOM 38 C LIG 1 4.297 1.394 2.234 0.00 0.00 +0.041 C ATOM 39 C LIG 1 5.465 0.472 2.535 0.00 0.00 +0.098 C ENDBRANCH 21 37 ENDBRANCH 1 26 TORSDOF 4