REMARK Name = LIG001560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.386 -0.784 -1.246 0.00 0.00 +0.030 C ATOM 2 C LIG 1 -2.693 -0.066 -0.081 0.00 0.00 +0.026 C ATOM 3 C LIG 1 -1.206 -0.416 -0.050 0.00 0.00 +0.108 C ATOM 4 N LIG 1 -0.584 -0.396 -1.374 0.00 0.00 -0.301 N ATOM 5 C LIG 1 0.741 -0.760 -1.607 0.00 0.00 +0.216 C ATOM 6 O LIG 1 1.270 -0.653 -2.713 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 -1.350 0.225 -2.447 0.00 0.00 +0.108 C ATOM 8 C LIG 1 -2.735 -0.404 -2.591 0.00 0.00 +0.026 C ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 -4.901 -0.538 -1.260 0.00 0.00 +0.232 C BRANCH 9 10 ATOM 10 O LIG 1 -5.158 0.874 -1.292 0.00 0.00 -0.489 OA BRANCH 10 14 ATOM 11 C LIG 1 -9.274 1.758 -1.256 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -8.557 1.556 -0.057 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -7.185 1.260 -0.058 0.00 0.00 +0.095 A ATOM 14 C LIG 1 -6.507 1.131 -1.274 0.00 0.00 +0.156 A ATOM 15 C LIG 1 -7.193 1.356 -2.471 0.00 0.00 +0.084 A ATOM 16 CL LIG 1 -6.383 1.282 -3.998 0.00 0.00 -0.080 Cl ATOM 17 C LIG 1 -8.561 1.659 -2.462 0.00 0.00 +0.028 A BRANCH 11 18 ATOM 18 C LIG 1 -10.788 2.081 -1.196 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -10.920 3.481 -0.538 0.00 0.00 +0.021 C ATOM 20 C LIG 1 -11.457 2.210 -2.591 0.00 0.00 +0.021 C BRANCH 18 24 ATOM 21 C LIG 1 -12.920 -1.142 0.878 0.00 0.00 +0.120 A ATOM 22 C LIG 1 -13.042 0.171 1.326 0.00 0.00 +0.046 A ATOM 23 C LIG 1 -12.364 1.211 0.673 0.00 0.00 +0.008 A ATOM 24 C LIG 1 -11.547 0.964 -0.443 0.00 0.00 -0.037 A ATOM 25 C LIG 1 -11.438 -0.370 -0.880 0.00 0.00 +0.008 A ATOM 26 C LIG 1 -12.114 -1.405 -0.228 0.00 0.00 +0.046 A BRANCH 21 28 ATOM 27 C LIG 1 -14.352 -2.025 2.558 0.00 0.00 +0.277 C ATOM 28 O LIG 1 -13.527 -2.240 1.420 0.00 0.00 -0.495 OA ENDBRANCH 21 28 ENDBRANCH 18 24 ENDBRANCH 11 18 BRANCH 13 29 ATOM 29 C LIG 1 -6.507 1.097 1.195 0.00 0.00 +0.103 C ATOM 30 N LIG 1 -5.974 0.947 2.216 0.00 0.00 -0.191 NA ENDBRANCH 13 29 ENDBRANCH 10 14 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 5 31 ATOM 31 C LIG 1 1.507 -1.321 -0.415 0.00 0.00 +0.096 C BRANCH 31 32 ATOM 32 C LIG 1 2.958 -1.661 -0.763 0.00 0.00 +0.011 C BRANCH 32 33 ATOM 33 C LIG 1 3.705 -2.214 0.454 0.00 0.00 +0.019 C BRANCH 33 34 ATOM 34 C LIG 1 5.138 -2.639 0.129 0.00 0.00 +0.101 C BRANCH 34 35 ATOM 35 N LIG 1 5.940 -1.470 -0.233 0.00 0.00 -0.344 N ATOM 36 H LIG 1 5.956 -1.328 -1.242 0.00 0.00 +0.146 HD BRANCH 35 37 ATOM 37 C LIG 1 7.199 -1.320 0.356 0.00 0.00 +0.028 A ATOM 38 C LIG 1 8.298 -0.973 -0.445 0.00 0.00 +0.036 A ATOM 39 C LIG 1 9.523 -0.803 0.172 0.00 0.00 +0.051 A ATOM 40 C LIG 1 10.827 -0.464 -0.392 0.00 0.00 +0.255 C ATOM 41 N LIG 1 11.716 -0.447 0.651 0.00 0.00 -0.222 N ATOM 42 C LIG 1 11.088 -0.673 1.846 0.00 0.00 +0.254 C ATOM 43 O LIG 1 11.547 -0.654 2.972 0.00 0.00 -0.270 OA ATOM 44 O LIG 1 11.033 -0.255 -1.572 0.00 0.00 -0.270 OA ATOM 45 C LIG 1 9.685 -0.937 1.537 0.00 0.00 +0.050 A ATOM 46 C LIG 1 8.627 -1.248 2.364 0.00 0.00 +0.015 A ATOM 47 C LIG 1 7.378 -1.436 1.757 0.00 0.00 +0.024 A BRANCH 41 48 ATOM 48 C LIG 1 13.098 -0.015 0.499 0.00 0.00 +0.171 C ATOM 49 C LIG 1 13.223 1.463 0.891 0.00 0.00 +0.243 C ATOM 50 O LIG 1 12.245 2.214 0.912 0.00 0.00 -0.273 OA ATOM 51 N LIG 1 14.524 1.912 1.156 0.00 0.00 -0.244 N ATOM 52 C LIG 1 14.666 3.322 1.474 0.00 0.00 +0.141 C ATOM 53 C LIG 1 15.652 1.105 1.300 0.00 0.00 +0.222 C ATOM 54 O LIG 1 16.754 1.533 1.643 0.00 0.00 -0.275 OA ATOM 55 C LIG 1 15.489 -0.359 0.956 0.00 0.00 +0.099 C ATOM 56 C LIG 1 14.095 -0.854 1.282 0.00 0.00 +0.041 C ENDBRANCH 41 48 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 14