REMARK Name = LIG001653 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.544 0.470 -0.597 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.220 -0.655 -0.306 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.424 -1.621 0.173 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.062 -1.546 0.392 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.575 -2.739 0.885 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.631 -3.521 0.969 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.441 -0.326 0.077 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.773 -2.890 0.548 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.222 0.665 -0.428 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.112 -3.459 0.498 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.184 -4.648 -0.460 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.615 -3.835 1.891 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.227 1.562 -1.117 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -2.600 2.357 -0.993 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.558 1.817 -0.553 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -6.700 3.113 -1.107 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -5.260 2.815 -1.498 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -4.429 2.354 0.891 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -3.704 3.585 0.907 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -3.503 3.783 1.839 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 0.929 -0.129 0.281 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.399 -1.025 0.398 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.554 0.772 -0.666 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 3.051 0.751 -0.457 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.892 0.070 -1.345 0.00 0.00 +0.006 A ATOM 26 C LIG 1 5.277 0.046 -1.137 0.00 0.00 +0.010 A ATOM 27 C LIG 1 5.867 0.696 -0.038 0.00 0.00 +0.000 A ATOM 28 C LIG 1 5.005 1.356 0.855 0.00 0.00 +0.010 A ATOM 29 C LIG 1 3.620 1.385 0.652 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 7.329 0.687 0.192 0.00 0.00 +0.074 A ATOM 31 N LIG 1 7.721 0.741 1.490 0.00 0.00 -0.219 NA ATOM 32 C LIG 1 9.045 0.732 1.745 0.00 0.00 +0.214 A ATOM 33 F LIG 1 9.427 0.782 3.030 0.00 0.00 -0.184 F ATOM 34 C LIG 1 10.024 0.678 0.772 0.00 0.00 +0.059 A ATOM 35 C LIG 1 9.623 0.634 -0.554 0.00 0.00 +0.006 A ATOM 36 C LIG 1 8.260 0.640 -0.850 0.00 0.00 +0.028 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10