REMARK Name = LIG001678 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.612 -3.366 -0.079 0.00 0.00 +0.264 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.227 -2.997 -0.561 0.00 0.00 -0.010 A ATOM 3 C LIG 1 0.040 -2.056 -1.583 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.244 -1.740 -2.035 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -2.367 -2.366 -1.480 0.00 0.00 -0.033 A ATOM 6 C LIG 1 -2.179 -3.321 -0.471 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.896 -3.638 -0.020 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 C LIG 1 -3.761 -2.028 -1.965 0.00 0.00 +0.119 C BRANCH 8 9 ATOM 9 N LIG 1 -4.619 -1.460 -0.914 0.00 0.00 -0.295 NA ATOM 10 C LIG 1 -4.098 -0.153 -0.438 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -5.173 0.739 0.222 0.00 0.00 +0.120 C ATOM 12 N LIG 1 -6.254 1.078 -0.741 0.00 0.00 -0.325 N ATOM 13 C LIG 1 -6.436 0.083 -1.821 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -6.025 -1.336 -1.370 0.00 0.00 +0.103 C BRANCH 12 15 ATOM 15 C LIG 1 -7.391 1.597 -0.097 0.00 0.00 +0.066 A ATOM 16 C LIG 1 -8.626 0.928 0.030 0.00 0.00 +0.147 A ATOM 17 F LIG 1 -8.786 -0.316 -0.448 0.00 0.00 -0.203 F ATOM 18 C LIG 1 -9.713 1.502 0.686 0.00 0.00 +0.078 A ATOM 19 C LIG 1 -9.581 2.768 1.233 0.00 0.00 +0.126 A ATOM 20 F LIG 1 -10.620 3.326 1.866 0.00 0.00 -0.205 F ATOM 21 C LIG 1 -8.384 3.463 1.137 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -7.298 2.879 0.478 0.00 0.00 +0.029 A ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 23 ATOM 23 O LIG 1 2.532 -2.270 -0.108 0.00 0.00 -0.487 OA BRANCH 23 29 ATOM 24 N LIG 1 5.442 0.828 0.516 0.00 0.00 -0.279 N ATOM 25 C LIG 1 4.887 1.271 1.712 0.00 0.00 +0.248 C ATOM 26 O LIG 1 5.281 2.154 2.450 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 3.706 0.446 1.976 0.00 0.00 +0.045 A ATOM 28 C LIG 1 3.585 -0.483 0.947 0.00 0.00 +0.024 A ATOM 29 C LIG 1 2.557 -1.411 0.950 0.00 0.00 +0.126 A ATOM 30 C LIG 1 1.646 -1.365 2.012 0.00 0.00 +0.046 A ATOM 31 C LIG 1 1.781 -0.417 3.048 0.00 0.00 +0.004 A ATOM 32 C LIG 1 2.827 0.504 3.039 0.00 0.00 +0.013 A ATOM 33 C LIG 1 4.674 -0.279 -0.053 0.00 0.00 +0.148 C BRANCH 24 35 ATOM 34 C LIG 1 6.589 2.858 -0.304 0.00 0.00 +0.042 C ATOM 35 C LIG 1 6.716 1.341 -0.053 0.00 0.00 +0.112 C ATOM 36 C LIG 1 7.112 0.712 -1.422 0.00 0.00 +0.243 C ATOM 37 O LIG 1 6.316 0.220 -2.220 0.00 0.00 -0.273 OA ATOM 38 N LIG 1 8.441 0.779 -1.774 0.00 0.00 -0.255 N ATOM 39 H LIG 1 8.664 0.362 -2.668 0.00 0.00 +0.158 HD ATOM 40 C LIG 1 9.513 0.935 -0.936 0.00 0.00 +0.219 C ATOM 41 O LIG 1 10.651 0.669 -1.312 0.00 0.00 -0.275 OA ATOM 42 C LIG 1 9.221 1.477 0.436 0.00 0.00 +0.099 C ATOM 43 C LIG 1 7.860 1.019 0.935 0.00 0.00 +0.044 C ENDBRANCH 24 35 ENDBRANCH 23 29 ENDBRANCH 1 23 TORSDOF 7