REMARK Name = LIG001394 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.127 0.334 0.789 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.018 0.015 -0.246 0.00 0.00 +0.037 A ATOM 3 C LIG 1 -2.368 0.201 -0.015 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -3.516 -0.042 -0.884 0.00 0.00 +0.255 C ATOM 5 N LIG 1 -4.629 0.334 -0.182 0.00 0.00 -0.222 N ATOM 6 C LIG 1 -4.308 0.732 1.087 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -5.044 1.056 1.999 0.00 0.00 -0.270 OA ATOM 8 O LIG 1 -3.434 -0.489 -2.012 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -2.851 0.678 1.187 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -2.006 0.996 2.227 0.00 0.00 +0.015 A ATOM 11 C LIG 1 -0.630 0.821 2.017 0.00 0.00 +0.024 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -5.981 0.098 -0.667 0.00 0.00 +0.171 C ATOM 13 C LIG 1 -6.518 -1.198 -0.050 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -5.800 -2.099 0.382 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -7.887 -1.343 -0.065 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -8.245 -2.204 0.328 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -8.829 -0.412 -0.427 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -10.028 -0.659 -0.342 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -8.312 0.891 -0.992 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -6.952 1.246 -0.408 0.00 0.00 +0.041 C ENDBRANCH 5 12 BRANCH 1 22 ATOM 21 C LIG 1 2.320 0.394 1.360 0.00 0.00 +0.224 C ATOM 22 N LIG 1 1.245 0.133 0.526 0.00 0.00 -0.285 N ATOM 23 H LIG 1 1.469 -0.237 -0.390 0.00 0.00 +0.155 HD ATOM 24 O LIG 1 2.236 0.879 2.490 0.00 0.00 -0.275 OA BRANCH 21 28 ATOM 25 C LIG 1 6.054 -0.540 -0.270 0.00 0.00 +0.078 C ATOM 26 C LIG 1 5.758 0.599 0.714 0.00 0.00 +0.015 C ATOM 27 C LIG 1 4.514 0.982 -0.096 0.00 0.00 +0.013 C ATOM 28 C LIG 1 3.658 0.033 0.752 0.00 0.00 +0.057 C ATOM 29 C LIG 1 3.957 -1.109 -0.229 0.00 0.00 +0.013 C ATOM 30 C LIG 1 4.905 -0.352 1.564 0.00 0.00 +0.013 C ATOM 31 C LIG 1 5.201 -1.490 0.581 0.00 0.00 +0.015 C ATOM 32 C LIG 1 4.807 -0.158 -1.080 0.00 0.00 +0.015 C BRANCH 25 33 ATOM 33 C LIG 1 7.390 -0.896 -0.873 0.00 0.00 +0.314 C ATOM 34 O LIG 1 7.559 -1.791 -1.700 0.00 0.00 -0.250 OA BRANCH 33 36 ATOM 35 C LIG 1 9.686 -0.409 -0.943 0.00 0.00 +0.280 C ATOM 36 O LIG 1 8.399 -0.107 -0.401 0.00 0.00 -0.468 OA ENDBRANCH 33 36 ENDBRANCH 25 33 ENDBRANCH 21 28 ENDBRANCH 1 22 TORSDOF 5