REMARK Name = LIG001486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.675 -2.295 0.133 0.00 0.00 +0.042 C ATOM 2 C LIG 1 -0.960 -1.017 -0.666 0.00 0.00 +0.112 C ATOM 3 N LIG 1 -2.282 -0.477 -0.332 0.00 0.00 -0.276 N ATOM 4 C LIG 1 -3.251 -0.817 -1.263 0.00 0.00 +0.217 C ATOM 5 O LIG 1 -4.444 -0.571 -1.192 0.00 0.00 -0.276 OA ATOM 6 C LIG 1 -2.597 -1.615 -2.357 0.00 0.00 +0.098 C ATOM 7 C LIG 1 -1.115 -1.321 -2.165 0.00 0.00 +0.044 C ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -2.605 0.149 0.954 0.00 0.00 +0.164 C ATOM 9 C LIG 1 -3.478 -0.776 1.822 0.00 0.00 +0.240 C ATOM 10 O LIG 1 -3.398 -2.004 1.800 0.00 0.00 -0.273 OA ATOM 11 N LIG 1 -4.295 -0.150 2.735 0.00 0.00 -0.255 N ATOM 12 H LIG 1 -4.849 -0.759 3.321 0.00 0.00 +0.158 HD ATOM 13 C LIG 1 -4.389 1.192 3.003 0.00 0.00 +0.219 C ATOM 14 O LIG 1 -5.082 1.604 3.930 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 -3.534 2.114 2.165 0.00 0.00 +0.098 C ATOM 16 C LIG 1 -3.263 1.518 0.793 0.00 0.00 +0.041 C ENDBRANCH 3 8 BRANCH 2 17 ATOM 17 C LIG 1 0.196 0.015 -0.481 0.00 0.00 +0.237 C ATOM 18 N LIG 1 1.433 -0.404 -0.940 0.00 0.00 -0.311 N ATOM 19 H LIG 1 1.559 -1.373 -1.199 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 0.033 1.119 0.035 0.00 0.00 -0.273 OA BRANCH 18 21 ATOM 21 C LIG 1 2.634 0.399 -0.743 0.00 0.00 +0.073 C ATOM 22 C LIG 1 3.206 0.198 0.662 0.00 0.00 +0.022 C ATOM 23 C LIG 1 4.410 1.106 0.923 0.00 0.00 +0.002 C ATOM 24 C LIG 1 5.190 1.468 -0.341 0.00 0.00 +0.000 C ATOM 25 C LIG 1 5.120 0.362 -1.384 0.00 0.00 +0.002 C ATOM 26 C LIG 1 3.682 0.072 -1.820 0.00 0.00 +0.022 C ENDBRANCH 18 21 ENDBRANCH 2 17 TORSDOF 3