REMARK Name = LIG000277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.085 -0.543 -1.134 0.00 0.00 +0.032 A ATOM 2 C LIG 1 -1.911 -1.277 -0.921 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.921 -0.838 -0.029 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -1.047 0.359 0.695 0.00 0.00 -0.042 A ATOM 5 C LIG 1 -2.227 1.089 0.458 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -3.217 0.654 -0.437 0.00 0.00 +0.023 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 0.059 0.909 1.693 0.00 0.00 +0.047 C ATOM 8 C LIG 1 1.079 -0.041 2.383 0.00 0.00 +0.094 C ATOM 9 N LIG 1 2.099 1.012 2.204 0.00 0.00 -0.298 NA ATOM 10 C LIG 1 1.322 1.580 1.083 0.00 0.00 +0.094 C BRANCH 9 11 ATOM 11 C LIG 1 3.436 0.534 1.814 0.00 0.00 +0.060 C ATOM 12 C LIG 1 4.126 -0.107 3.031 0.00 0.00 +0.038 C ATOM 13 C LIG 1 5.610 -0.357 2.740 0.00 0.00 +0.106 C ATOM 14 N LIG 1 5.819 -0.851 1.372 0.00 0.00 -0.330 N ATOM 15 C LIG 1 4.654 -1.426 0.708 0.00 0.00 +0.106 C ATOM 16 C LIG 1 3.572 -0.358 0.553 0.00 0.00 +0.038 C BRANCH 14 17 ATOM 17 C LIG 1 7.072 -0.790 0.780 0.00 0.00 +0.030 A ATOM 18 C LIG 1 8.242 -0.712 1.559 0.00 0.00 +0.037 A ATOM 19 C LIG 1 9.471 -0.651 0.925 0.00 0.00 +0.051 A ATOM 20 C LIG 1 10.818 -0.568 1.482 0.00 0.00 +0.255 C ATOM 21 N LIG 1 11.684 -0.563 0.421 0.00 0.00 -0.222 N ATOM 22 C LIG 1 11.011 -0.568 -0.771 0.00 0.00 +0.254 C ATOM 23 O LIG 1 11.452 -0.498 -1.902 0.00 0.00 -0.270 OA ATOM 24 O LIG 1 11.070 -0.520 2.671 0.00 0.00 -0.270 OA ATOM 25 C LIG 1 9.590 -0.656 -0.447 0.00 0.00 +0.050 A ATOM 26 C LIG 1 8.484 -0.718 -1.262 0.00 0.00 +0.015 A ATOM 27 C LIG 1 7.230 -0.785 -0.633 0.00 0.00 +0.024 A BRANCH 21 28 ATOM 28 C LIG 1 13.114 -0.342 0.576 0.00 0.00 +0.171 C ATOM 29 C LIG 1 13.430 1.137 0.333 0.00 0.00 +0.240 C ATOM 30 O LIG 1 12.600 2.040 0.420 0.00 0.00 -0.273 OA ATOM 31 N LIG 1 14.749 1.426 0.062 0.00 0.00 -0.255 N ATOM 32 H LIG 1 14.964 2.402 -0.088 0.00 0.00 +0.158 HD ATOM 33 C LIG 1 15.763 0.542 -0.217 0.00 0.00 +0.219 C ATOM 34 O LIG 1 16.875 0.940 -0.553 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 15.451 -0.926 -0.032 0.00 0.00 +0.098 C ATOM 36 C LIG 1 13.986 -1.218 -0.320 0.00 0.00 +0.041 C ENDBRANCH 21 28 ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 4 7 BRANCH 1 37 ATOM 37 N LIG 1 -4.013 -1.017 -2.072 0.00 0.00 -0.298 N ATOM 38 H LIG 1 -3.788 -1.946 -2.440 0.00 0.00 +0.154 HD BRANCH 37 41 ATOM 39 C LIG 1 -7.209 0.753 -2.101 0.00 0.00 +0.142 A ATOM 40 N LIG 1 -5.958 0.369 -1.736 0.00 0.00 -0.213 NA ATOM 41 C LIG 1 -5.332 -0.633 -2.411 0.00 0.00 +0.156 A ATOM 42 C LIG 1 -5.995 -1.237 -3.494 0.00 0.00 +0.165 A ATOM 43 N LIG 1 -7.236 -0.869 -3.924 0.00 0.00 -0.244 NA ATOM 44 C LIG 1 -7.803 0.130 -3.206 0.00 0.00 +0.155 A BRANCH 39 47 ATOM 45 C LIG 1 -9.509 0.705 0.111 0.00 0.00 +0.095 C ATOM 46 C LIG 1 -9.282 1.631 -1.112 0.00 0.00 +0.129 C ATOM 47 N LIG 1 -7.844 1.788 -1.396 0.00 0.00 -0.312 N ATOM 48 C LIG 1 -7.091 2.342 -0.261 0.00 0.00 +0.106 C ATOM 49 C LIG 1 -7.245 1.460 0.982 0.00 0.00 +0.021 C ATOM 50 C LIG 1 -8.720 1.227 1.324 0.00 0.00 +0.025 C BRANCH 45 55 ATOM 51 C LIG 1 -14.208 -0.643 -0.666 0.00 0.00 +0.133 C ATOM 52 N LIG 1 -13.079 0.093 -0.154 0.00 0.00 -0.287 N ATOM 53 C LIG 1 -11.757 -0.190 -0.498 0.00 0.00 +0.305 C ATOM 54 O LIG 1 -11.376 -0.889 -1.421 0.00 0.00 -0.252 OA ATOM 55 N LIG 1 -10.932 0.513 0.396 0.00 0.00 -0.279 N ATOM 56 C LIG 1 -11.736 1.422 1.192 0.00 0.00 +0.128 C ATOM 57 C LIG 1 -13.136 0.835 1.083 0.00 0.00 +0.128 C ENDBRANCH 45 55 ENDBRANCH 39 47 BRANCH 42 58 ATOM 58 C LIG 1 -5.383 -2.380 -4.246 0.00 0.00 +0.263 C ATOM 59 O LIG 1 -4.339 -2.924 -3.902 0.00 0.00 -0.269 OA ATOM 60 N LIG 1 -6.087 -2.808 -5.341 0.00 0.00 -0.324 N ATOM 61 H LIG 1 -7.004 -2.410 -5.523 0.00 0.00 +0.145 HD ATOM 62 H LIG 1 -5.786 -3.633 -5.840 0.00 0.00 +0.145 HD ENDBRANCH 42 58 ENDBRANCH 37 41 ENDBRANCH 1 37 TORSDOF 9