REMARK Name = LIG001562 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.219 0.705 -0.452 0.00 0.00 +0.066 A ATOM 2 C LIG 1 2.857 1.440 -1.501 0.00 0.00 +0.145 A ATOM 3 F LIG 1 2.123 2.156 -2.368 0.00 0.00 -0.204 F ATOM 4 C LIG 1 4.244 1.490 -1.671 0.00 0.00 +0.054 A ATOM 5 C LIG 1 5.006 0.790 -0.766 0.00 0.00 +0.052 A ATOM 6 C LIG 1 6.453 0.625 -0.666 0.00 0.00 +0.255 C ATOM 7 N LIG 1 6.684 -0.149 0.438 0.00 0.00 -0.222 N ATOM 8 C LIG 1 5.511 -0.556 1.017 0.00 0.00 +0.255 C ATOM 9 O LIG 1 5.345 -1.285 1.975 0.00 0.00 -0.270 OA ATOM 10 O LIG 1 7.248 1.093 -1.458 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 4.431 0.070 0.259 0.00 0.00 +0.051 A ATOM 12 C LIG 1 3.059 0.007 0.439 0.00 0.00 +0.039 A ENDROOT BRANCH 1 20 ATOM 13 C LIG 1 -6.511 0.616 0.189 0.00 0.00 +0.403 C ATOM 14 N LIG 1 -5.127 0.583 0.227 0.00 0.00 -0.267 N ATOM 15 C LIG 1 -4.386 1.812 0.484 0.00 0.00 +0.111 C ATOM 16 C LIG 1 -3.090 1.837 -0.321 0.00 0.00 +0.026 C ATOM 17 C LIG 1 -2.141 0.650 0.033 0.00 0.00 -0.024 C ATOM 18 C LIG 1 -1.118 1.112 1.111 0.00 0.00 +0.026 C ATOM 19 C LIG 1 0.221 0.381 1.003 0.00 0.00 +0.106 C ATOM 20 N LIG 1 0.835 0.655 -0.301 0.00 0.00 -0.328 N ATOM 21 C LIG 1 -0.054 0.937 -1.435 0.00 0.00 +0.106 C ATOM 22 C LIG 1 -1.380 0.197 -1.246 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -2.967 -0.548 0.589 0.00 0.00 +0.026 C ATOM 24 C LIG 1 -4.361 -0.634 -0.025 0.00 0.00 +0.111 C ATOM 25 O LIG 1 -7.171 1.620 0.425 0.00 0.00 -0.226 OA BRANCH 13 26 ATOM 26 O LIG 1 -7.037 -0.590 -0.145 0.00 0.00 -0.445 OA BRANCH 26 28 ATOM 27 C LIG 1 -9.163 -0.548 1.100 0.00 0.00 +0.055 C ATOM 28 C LIG 1 -8.472 -0.778 -0.248 0.00 0.00 +0.107 C ATOM 29 C LIG 1 -8.641 -2.255 -0.639 0.00 0.00 +0.055 C ATOM 30 C LIG 1 -9.072 0.092 -1.358 0.00 0.00 +0.055 C ENDBRANCH 26 28 ENDBRANCH 13 26 ENDBRANCH 1 20 BRANCH 7 31 ATOM 31 C LIG 1 7.979 -0.687 0.826 0.00 0.00 +0.171 C ATOM 32 C LIG 1 8.367 -1.813 -0.138 0.00 0.00 +0.240 C ATOM 33 O LIG 1 7.557 -2.447 -0.811 0.00 0.00 -0.273 OA ATOM 34 N LIG 1 9.705 -2.138 -0.167 0.00 0.00 -0.255 N ATOM 35 H LIG 1 9.963 -2.890 -0.792 0.00 0.00 +0.158 HD ATOM 36 C LIG 1 10.746 -1.473 0.431 0.00 0.00 +0.219 C ATOM 37 O LIG 1 11.907 -1.834 0.264 0.00 0.00 -0.275 OA ATOM 38 C LIG 1 10.382 -0.326 1.345 0.00 0.00 +0.098 C ATOM 39 C LIG 1 9.095 0.352 0.896 0.00 0.00 +0.041 C ENDBRANCH 7 31 TORSDOF 4