REMARK Name = LIG000764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.478 1.715 1.148 0.00 0.00 +0.112 C ENDROOT BRANCH 1 5 ATOM 2 N LIG 1 -3.575 0.745 0.190 0.00 0.00 -0.326 N ATOM 3 C LIG 1 -2.548 1.278 -0.723 0.00 0.00 +0.120 C ATOM 4 C LIG 1 -1.148 0.696 -0.418 0.00 0.00 +0.103 C ATOM 5 N LIG 1 -0.689 0.830 0.984 0.00 0.00 -0.297 NA ATOM 6 C LIG 1 -1.793 1.256 1.873 0.00 0.00 +0.103 C ATOM 7 C LIG 1 -3.123 0.525 1.584 0.00 0.00 +0.120 C BRANCH 2 11 ATOM 8 C LIG 1 -6.657 -1.849 -1.010 0.00 0.00 +0.125 A ATOM 9 N LIG 1 -6.776 -1.135 0.122 0.00 0.00 -0.238 NA ATOM 10 C LIG 1 -5.751 -0.311 0.464 0.00 0.00 +0.136 A ATOM 11 C LIG 1 -4.562 -0.132 -0.250 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -4.471 -0.889 -1.416 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -5.511 -1.747 -1.796 0.00 0.00 +0.045 A BRANCH 8 14 ATOM 14 N LIG 1 -7.676 -2.713 -1.439 0.00 0.00 -0.268 N ATOM 15 H LIG 1 -7.343 -3.651 -1.605 0.00 0.00 +0.156 HD BRANCH 14 24 ATOM 16 C LIG 1 -13.482 -2.100 1.054 0.00 0.00 +0.085 A ATOM 17 C LIG 1 -12.789 -0.775 1.059 0.00 0.00 +0.264 A ATOM 18 O LIG 1 -13.373 0.187 1.555 0.00 0.00 -0.267 OA ATOM 19 N LIG 1 -11.524 -0.700 0.498 0.00 0.00 -0.289 N ATOM 20 C LIG 1 -10.867 -1.862 0.001 0.00 0.00 +0.149 A ATOM 21 C LIG 1 -11.521 -3.081 0.033 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -10.765 -4.136 -0.446 0.00 0.00 +0.126 A ATOM 23 N LIG 1 -9.507 -4.029 -0.924 0.00 0.00 -0.222 NA ATOM 24 C LIG 1 -8.959 -2.810 -0.910 0.00 0.00 +0.222 A ATOM 25 N LIG 1 -9.617 -1.728 -0.484 0.00 0.00 -0.196 NA ATOM 26 C LIG 1 -12.899 -3.205 0.543 0.00 0.00 -0.023 A ATOM 27 C LIG 1 -13.561 -4.557 0.441 0.00 0.00 +0.045 C BRANCH 19 28 ATOM 28 C LIG 1 -10.779 0.572 0.473 0.00 0.00 +0.092 C ATOM 29 C LIG 1 -10.481 1.169 1.850 0.00 0.00 +0.025 C ATOM 30 C LIG 1 -10.047 2.596 1.532 0.00 0.00 +0.002 C ATOM 31 C LIG 1 -10.752 2.975 0.228 0.00 0.00 +0.002 C ATOM 32 C LIG 1 -11.475 1.721 -0.262 0.00 0.00 +0.025 C ENDBRANCH 19 28 BRANCH 16 34 ATOM 33 C LIG 1 -15.883 -1.170 1.220 0.00 0.00 +0.092 C ATOM 34 C LIG 1 -14.854 -2.183 1.650 0.00 0.00 +0.166 C ATOM 35 O LIG 1 -15.132 -3.061 2.468 0.00 0.00 -0.292 OA ENDBRANCH 16 34 ENDBRANCH 14 24 ENDBRANCH 8 14 ENDBRANCH 2 11 ENDBRANCH 1 5 BRANCH 1 36 ATOM 36 C LIG 1 1.784 1.198 0.510 0.00 0.00 +0.175 C BRANCH 36 37 ATOM 37 O LIG 1 1.911 1.694 -0.825 0.00 0.00 -0.376 OA BRANCH 37 38 ATOM 38 C LIG 1 3.238 1.592 -1.341 0.00 0.00 +0.188 C BRANCH 38 39 ATOM 39 C LIG 1 4.028 2.860 -1.012 0.00 0.00 +0.188 C BRANCH 39 40 ATOM 40 O LIG 1 5.323 2.821 -1.616 0.00 0.00 -0.376 OA BRANCH 40 41 ATOM 41 C LIG 1 6.080 4.005 -1.331 0.00 0.00 +0.178 C BRANCH 41 42 ATOM 42 C LIG 1 6.947 3.809 -0.081 0.00 0.00 +0.132 C BRANCH 42 43 ATOM 43 N LIG 1 8.351 3.603 -0.387 0.00 0.00 -0.312 N ATOM 44 H LIG 1 8.988 4.384 -0.273 0.00 0.00 +0.149 HD ATOM 45 C LIG 1 8.958 2.518 -0.949 0.00 0.00 +0.230 C ATOM 46 O LIG 1 10.157 2.610 -1.223 0.00 0.00 -0.274 OA BRANCH 45 47 ATOM 47 C LIG 1 8.142 1.248 -1.236 0.00 0.00 +0.197 C BRANCH 47 48 ATOM 48 N LIG 1 9.018 0.060 -1.325 0.00 0.00 -0.335 N ATOM 49 H LIG 1 9.793 0.282 -1.972 0.00 0.00 +0.147 HD BRANCH 48 50 ATOM 50 C LIG 1 9.553 -0.428 -0.124 0.00 0.00 +0.040 A ATOM 51 C LIG 1 10.881 -0.829 -0.025 0.00 0.00 +0.070 A ATOM 52 C LIG 1 11.971 -0.774 -1.004 0.00 0.00 +0.256 C ATOM 53 N LIG 1 13.085 -1.288 -0.394 0.00 0.00 -0.222 N ATOM 54 C LIG 1 12.827 -1.638 0.902 0.00 0.00 +0.255 C ATOM 55 O LIG 1 13.589 -2.079 1.742 0.00 0.00 -0.270 OA ATOM 56 O LIG 1 11.863 -0.356 -2.142 0.00 0.00 -0.269 OA ATOM 57 C LIG 1 11.412 -1.365 1.138 0.00 0.00 +0.051 A ATOM 58 C LIG 1 10.655 -1.561 2.274 0.00 0.00 +0.014 A ATOM 59 C LIG 1 9.308 -1.210 2.202 0.00 0.00 +0.003 A ATOM 60 C LIG 1 8.765 -0.662 1.018 0.00 0.00 +0.024 A BRANCH 53 61 ATOM 61 C LIG 1 14.407 -1.260 -1.000 0.00 0.00 +0.171 C ATOM 62 C LIG 1 15.219 -0.110 -0.392 0.00 0.00 +0.240 C ATOM 63 O LIG 1 14.722 0.864 0.170 0.00 0.00 -0.273 OA ATOM 64 N LIG 1 16.585 -0.193 -0.557 0.00 0.00 -0.255 N ATOM 65 H LIG 1 17.120 0.563 -0.151 0.00 0.00 +0.158 HD ATOM 66 C LIG 1 17.312 -1.275 -0.987 0.00 0.00 +0.219 C ATOM 67 O LIG 1 18.539 -1.270 -0.943 0.00 0.00 -0.275 OA ATOM 68 C LIG 1 16.528 -2.431 -1.562 0.00 0.00 +0.098 C ATOM 69 C LIG 1 15.177 -2.573 -0.875 0.00 0.00 +0.041 C ENDBRANCH 53 61 ENDBRANCH 48 50 ENDBRANCH 47 48 ENDBRANCH 45 47 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 1 36 TORSDOF 18