REMARK Name = LIG000130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.877 -0.171 -0.664 0.00 0.00 -0.330 N ATOM 2 C LIG 1 -1.432 -1.540 -0.367 0.00 0.00 +0.106 C ATOM 3 C LIG 1 0.077 -1.634 -0.597 0.00 0.00 +0.038 C ATOM 4 C LIG 1 0.825 -0.585 0.254 0.00 0.00 +0.060 C ATOM 5 C LIG 1 0.267 0.817 -0.041 0.00 0.00 +0.038 C ATOM 6 C LIG 1 -1.246 0.855 0.178 0.00 0.00 +0.106 C ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.859 0.533 -1.882 0.00 0.00 -0.026 A ATOM 8 C LIG 1 -3.276 -0.018 -0.727 0.00 0.00 +0.033 A ATOM 9 C LIG 1 -4.111 -0.380 0.347 0.00 0.00 +0.028 A ATOM 10 C LIG 1 -5.514 -0.227 0.306 0.00 0.00 -0.023 A ATOM 11 C LIG 1 -6.371 -0.646 1.521 0.00 0.00 +0.032 C ATOM 12 C LIG 1 -7.833 -0.390 1.246 0.00 0.00 +0.038 A ATOM 13 C LIG 1 -8.376 0.140 0.093 0.00 0.00 +0.051 A ATOM 14 C LIG 1 -7.553 0.526 -1.034 0.00 0.00 +0.196 C ATOM 15 O LIG 1 -8.017 0.999 -2.065 0.00 0.00 -0.287 OA ATOM 16 C LIG 1 -9.788 0.206 0.271 0.00 0.00 +0.011 A ATOM 17 C LIG 1 -10.064 -0.294 1.545 0.00 0.00 +0.049 A ATOM 18 C LIG 1 -11.366 -0.376 2.059 0.00 0.00 +0.045 A ATOM 19 C LIG 1 -12.419 0.066 1.244 0.00 0.00 +0.054 A ATOM 20 C LIG 1 -12.169 0.570 -0.035 0.00 0.00 +0.019 A ATOM 21 C LIG 1 -10.862 0.644 -0.530 0.00 0.00 +0.012 A ATOM 22 N LIG 1 -8.862 -0.649 2.115 0.00 0.00 -0.357 N ATOM 23 H LIG 1 -8.765 -1.043 3.042 0.00 0.00 +0.166 HD ATOM 24 C LIG 1 -5.947 0.174 2.760 0.00 0.00 +0.022 C ATOM 25 C LIG 1 -6.173 -2.152 1.799 0.00 0.00 +0.022 C ATOM 26 C LIG 1 -6.078 0.316 -0.871 0.00 0.00 +0.027 A ATOM 27 C LIG 1 -5.253 0.686 -1.945 0.00 0.00 +0.017 A BRANCH 7 29 ATOM 28 C LIG 1 -2.756 -0.248 -4.005 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -3.028 0.931 -3.082 0.00 0.00 +0.033 C ENDBRANCH 7 29 BRANCH 19 30 ATOM 30 C LIG 1 -13.766 -0.001 1.734 0.00 0.00 +0.099 C ATOM 31 N LIG 1 -14.852 -0.058 2.138 0.00 0.00 -0.191 NA ENDBRANCH 19 30 ENDBRANCH 1 8 BRANCH 4 32 ATOM 32 N LIG 1 2.277 -0.772 0.099 0.00 0.00 -0.296 NA ATOM 33 C LIG 1 3.088 -0.398 1.278 0.00 0.00 +0.103 C ATOM 34 C LIG 1 3.610 1.052 1.290 0.00 0.00 +0.123 C ATOM 35 N LIG 1 4.289 1.355 0.032 0.00 0.00 -0.299 N ATOM 36 C LIG 1 5.678 1.367 0.015 0.00 0.00 +0.216 C ATOM 37 O LIG 1 6.344 1.311 1.051 0.00 0.00 -0.276 OA ATOM 38 C LIG 1 3.439 1.141 -1.140 0.00 0.00 +0.123 C ATOM 39 C LIG 1 2.892 -0.305 -1.160 0.00 0.00 +0.103 C BRANCH 36 40 ATOM 40 C LIG 1 6.352 1.513 -1.341 0.00 0.00 +0.104 C BRANCH 40 41 ATOM 41 C LIG 1 7.876 1.495 -1.218 0.00 0.00 +0.089 C BRANCH 41 42 ATOM 42 C LIG 1 8.395 0.086 -0.976 0.00 0.00 +0.164 C ATOM 43 O LIG 1 7.749 -0.908 -1.307 0.00 0.00 -0.292 OA BRANCH 42 44 ATOM 44 C LIG 1 9.745 -0.093 -0.364 0.00 0.00 +0.018 A ATOM 45 C LIG 1 10.665 0.955 -0.254 0.00 0.00 +0.015 A ATOM 46 C LIG 1 11.924 0.736 0.323 0.00 0.00 +0.046 A ATOM 47 C LIG 1 12.275 -0.531 0.790 0.00 0.00 +0.120 A ATOM 48 C LIG 1 11.360 -1.578 0.671 0.00 0.00 +0.046 A ATOM 49 C LIG 1 10.103 -1.365 0.097 0.00 0.00 +0.015 A BRANCH 47 50 ATOM 50 O LIG 1 13.465 -0.875 1.370 0.00 0.00 -0.495 OA ATOM 51 C LIG 1 14.422 0.162 1.543 0.00 0.00 +0.277 C ENDBRANCH 47 50 ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 36 40 ENDBRANCH 4 32 TORSDOF 9