REMARK Name = LIG001192 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.756 3.502 0.356 0.00 0.00 +0.068 A ATOM 2 C LIG 1 -2.411 2.554 -0.613 0.00 0.00 +0.042 A ATOM 3 C LIG 1 -1.072 2.137 -0.778 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -0.063 2.704 0.021 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -0.416 3.685 0.962 0.00 0.00 +0.026 A ATOM 6 C LIG 1 -1.745 4.090 1.123 0.00 0.00 +0.030 A ENDROOT BRANCH 1 17 ATOM 7 C LIG 1 -5.499 -0.474 -0.056 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -4.993 0.807 0.238 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -5.727 1.959 -0.063 0.00 0.00 +0.027 A ATOM 10 C LIG 1 -7.040 1.819 -0.573 0.00 0.00 +0.051 A ATOM 11 N LIG 1 -7.879 2.949 -0.725 0.00 0.00 -0.320 N ATOM 12 H LIG 1 -8.829 2.833 -1.056 0.00 0.00 +0.169 HD ATOM 13 C LIG 1 -7.546 4.239 -0.330 0.00 0.00 +0.279 A ATOM 14 C LIG 1 -6.187 4.389 0.156 0.00 0.00 +0.178 A ATOM 15 N LIG 1 -5.601 5.510 0.651 0.00 0.00 -0.124 NA ATOM 16 N LIG 1 -4.351 5.195 0.969 0.00 0.00 -0.059 NA ATOM 17 N LIG 1 -4.098 3.932 0.522 0.00 0.00 -0.211 N ATOM 18 O LIG 1 -8.358 5.154 -0.415 0.00 0.00 -0.265 OA ATOM 19 C LIG 1 -7.550 0.560 -0.881 0.00 0.00 +0.027 A ATOM 20 C LIG 1 -5.300 3.327 0.204 0.00 0.00 +0.109 A ATOM 21 C LIG 1 -6.776 -0.576 -0.633 0.00 0.00 +0.010 A BRANCH 7 25 ATOM 22 C LIG 1 -3.184 -3.917 0.750 0.00 0.00 +0.214 A ATOM 23 N LIG 1 -2.670 -2.976 -0.069 0.00 0.00 -0.221 NA ATOM 24 C LIG 1 -3.446 -1.891 -0.304 0.00 0.00 +0.123 A ATOM 25 C LIG 1 -4.715 -1.680 0.243 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -5.202 -2.683 1.091 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -4.429 -3.815 1.351 0.00 0.00 +0.068 A BRANCH 22 29 ATOM 28 C LIG 1 -1.236 -5.131 0.306 0.00 0.00 +0.279 C ATOM 29 O LIG 1 -2.460 -5.057 1.031 0.00 0.00 -0.480 OA ENDBRANCH 22 29 ENDBRANCH 7 25 ENDBRANCH 1 17 BRANCH 4 30 ATOM 30 N LIG 1 1.255 2.261 -0.137 0.00 0.00 -0.326 N ATOM 31 C LIG 1 1.729 1.422 0.985 0.00 0.00 +0.124 C ATOM 32 C LIG 1 3.051 0.734 0.597 0.00 0.00 +0.127 C ATOM 33 N LIG 1 4.067 1.670 0.068 0.00 0.00 -0.295 N ATOM 34 C LIG 1 5.397 1.296 -0.082 0.00 0.00 +0.240 C ATOM 35 O LIG 1 6.162 1.801 -0.896 0.00 0.00 -0.271 OA ATOM 36 C LIG 1 3.559 2.639 -0.917 0.00 0.00 +0.127 C ATOM 37 C LIG 1 2.240 3.309 -0.482 0.00 0.00 +0.124 C BRANCH 34 38 ATOM 38 C LIG 1 5.878 0.218 0.809 0.00 0.00 +0.071 C ATOM 39 C LIG 1 6.589 -0.779 0.270 0.00 0.00 +0.056 C BRANCH 39 40 ATOM 40 C LIG 1 7.067 -1.873 1.148 0.00 0.00 +0.189 C ATOM 41 O LIG 1 7.129 -1.748 2.368 0.00 0.00 -0.287 OA BRANCH 40 42 ATOM 42 C LIG 1 7.509 -3.135 0.515 0.00 0.00 +0.057 A ATOM 43 C LIG 1 6.892 -3.650 -0.625 0.00 0.00 +0.134 A ATOM 44 F LIG 1 5.865 -3.015 -1.205 0.00 0.00 -0.205 F ATOM 45 C LIG 1 7.303 -4.865 -1.171 0.00 0.00 +0.039 A ATOM 46 C LIG 1 8.338 -5.580 -0.571 0.00 0.00 +0.003 A ATOM 47 C LIG 1 8.960 -5.079 0.576 0.00 0.00 +0.001 A ATOM 48 C LIG 1 8.543 -3.862 1.122 0.00 0.00 +0.014 A ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 34 38 ENDBRANCH 4 30 BRANCH 3 49 ATOM 49 C LIG 1 -0.732 1.097 -1.822 0.00 0.00 +0.419 C ATOM 50 F LIG 1 0.074 1.561 -2.815 0.00 0.00 -0.166 F ATOM 51 F LIG 1 -0.127 -0.014 -1.310 0.00 0.00 -0.166 F ATOM 52 F LIG 1 -1.846 0.619 -2.459 0.00 0.00 -0.166 F ENDBRANCH 3 49 TORSDOF 8