REMARK Name = LIG000257 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.573 -0.293 -0.456 0.00 0.00 -0.033 A ATOM 2 C LIG 1 1.428 -1.385 -1.322 0.00 0.00 +0.005 A ATOM 3 C LIG 1 0.207 -2.058 -1.419 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -0.900 -1.644 -0.664 0.00 0.00 -0.010 A ATOM 5 C LIG 1 -0.751 -0.558 0.208 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.469 0.116 0.304 0.00 0.00 +0.005 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.889 0.452 -0.369 0.00 0.00 +0.119 C BRANCH 7 11 ATOM 8 N LIG 1 6.180 0.094 2.007 0.00 0.00 -0.313 N ATOM 9 C LIG 1 5.317 -0.984 1.467 0.00 0.00 +0.122 C ATOM 10 C LIG 1 3.814 -0.655 1.626 0.00 0.00 +0.103 C ATOM 11 N LIG 1 3.381 0.620 1.007 0.00 0.00 -0.295 NA ATOM 12 C LIG 1 4.476 1.625 1.033 0.00 0.00 +0.103 C ATOM 13 C LIG 1 5.494 1.395 2.168 0.00 0.00 +0.122 C BRANCH 8 17 ATOM 14 C LIG 1 9.906 0.251 0.109 0.00 0.00 +0.055 A ATOM 15 C LIG 1 9.021 1.315 0.122 0.00 0.00 +0.126 A ATOM 16 N LIG 1 7.810 1.291 0.736 0.00 0.00 -0.240 NA ATOM 17 C LIG 1 7.426 0.155 1.361 0.00 0.00 +0.121 A ATOM 18 C LIG 1 8.264 -0.964 1.378 0.00 0.00 +0.044 A ATOM 19 C LIG 1 9.508 -0.920 0.745 0.00 0.00 +0.018 A BRANCH 14 23 ATOM 20 N LIG 1 11.787 1.541 -0.754 0.00 0.00 -0.325 N ATOM 21 H LIG 1 12.739 1.531 -1.101 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 11.508 2.356 -0.225 0.00 0.00 +0.145 HD ATOM 23 C LIG 1 11.220 0.311 -0.567 0.00 0.00 +0.243 C ATOM 24 O LIG 1 11.800 -0.707 -0.920 0.00 0.00 -0.270 OA ENDBRANCH 14 23 ENDBRANCH 8 17 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 25 ATOM 25 C LIG 1 -2.204 -2.403 -0.759 0.00 0.00 +0.264 C BRANCH 25 26 ATOM 26 O LIG 1 -3.359 -1.587 -0.536 0.00 0.00 -0.487 OA BRANCH 26 27 ATOM 27 C LIG 1 -3.856 -0.860 -1.576 0.00 0.00 +0.126 A ATOM 28 C LIG 1 -5.046 -0.196 -1.330 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -5.870 -0.163 -0.086 0.00 0.00 +0.148 C ATOM 30 N LIG 1 -6.973 0.718 -0.459 0.00 0.00 -0.281 N ATOM 31 C LIG 1 -6.892 1.131 -1.778 0.00 0.00 +0.248 C ATOM 32 O LIG 1 -7.698 1.790 -2.406 0.00 0.00 -0.270 OA ATOM 33 C LIG 1 -5.647 0.579 -2.321 0.00 0.00 +0.045 A ATOM 34 C LIG 1 -5.106 0.733 -3.581 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -3.901 0.080 -3.837 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -3.281 -0.708 -2.844 0.00 0.00 +0.046 A BRANCH 30 37 ATOM 37 C LIG 1 -8.170 0.913 0.351 0.00 0.00 +0.163 C ATOM 38 C LIG 1 -7.912 1.067 1.859 0.00 0.00 +0.240 C ATOM 39 O LIG 1 -6.832 1.390 2.349 0.00 0.00 -0.273 OA ATOM 40 N LIG 1 -9.001 0.862 2.676 0.00 0.00 -0.255 N ATOM 41 H LIG 1 -8.827 0.964 3.667 0.00 0.00 +0.158 HD ATOM 42 C LIG 1 -10.196 0.276 2.344 0.00 0.00 +0.219 C ATOM 43 O LIG 1 -11.012 -0.030 3.208 0.00 0.00 -0.275 OA ATOM 44 C LIG 1 -10.461 0.072 0.872 0.00 0.00 +0.098 C ATOM 45 C LIG 1 -9.174 -0.217 0.117 0.00 0.00 +0.041 C ENDBRANCH 30 37 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 8