REMARK Name = LIG001455 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.668 1.249 -0.457 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -5.437 0.798 0.542 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -4.745 0.076 1.435 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -3.399 -0.232 1.393 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -3.033 -0.991 2.485 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -4.145 -1.145 3.173 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -2.675 0.265 0.297 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -5.209 -0.517 2.578 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -3.350 1.012 -0.618 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -6.582 -0.482 3.062 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -7.198 -1.880 3.103 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -6.683 0.211 4.420 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -5.231 1.998 -1.483 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -4.446 2.187 -2.104 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -6.329 1.359 -2.235 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -8.871 1.178 -2.358 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -7.661 1.446 -1.472 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -5.976 -0.070 -2.703 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -4.718 -0.084 -3.383 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -4.026 0.014 -2.699 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 -1.316 -0.015 0.127 0.00 0.00 -0.323 N ATOM 22 H LIG 1 -0.921 -0.363 1.000 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -0.552 1.049 -0.497 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 0.912 0.676 -0.494 0.00 0.00 -0.030 A ATOM 25 C LIG 1 1.823 1.343 0.334 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.177 0.988 0.330 0.00 0.00 +0.009 A ATOM 27 C LIG 1 3.656 -0.042 -0.495 0.00 0.00 -0.018 A ATOM 28 C LIG 1 2.734 -0.710 -1.315 0.00 0.00 +0.009 A ATOM 29 C LIG 1 1.380 -0.358 -1.314 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 5.082 -0.411 -0.499 0.00 0.00 -0.018 A ATOM 31 C LIG 1 5.753 -0.723 0.693 0.00 0.00 +0.009 A ATOM 32 C LIG 1 7.107 -1.075 0.690 0.00 0.00 +0.004 A ATOM 33 C LIG 1 7.827 -1.121 -0.509 0.00 0.00 -0.047 A ATOM 34 C LIG 1 7.167 -0.812 -1.703 0.00 0.00 +0.004 A ATOM 35 C LIG 1 5.813 -0.462 -1.696 0.00 0.00 +0.009 A BRANCH 33 36 ATOM 36 C LIG 1 9.290 -1.497 -0.515 0.00 0.00 +0.038 C BRANCH 36 37 ATOM 37 C LIG 1 10.236 -0.318 -0.816 0.00 0.00 -0.013 C ATOM 38 C LIG 1 11.662 -0.836 -1.017 0.00 0.00 +0.007 C ATOM 39 C LIG 1 10.220 0.729 0.301 0.00 0.00 +0.007 C ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 12