REMARK Name = LIG001412 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.752 0.702 -0.241 0.00 0.00 -0.281 N ATOM 2 C LIG 1 4.106 1.900 0.034 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.606 2.978 0.293 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.666 1.634 -0.042 0.00 0.00 +0.045 A ATOM 5 C LIG 1 1.602 2.516 0.108 0.00 0.00 +0.014 A ATOM 6 C LIG 1 0.303 2.005 0.005 0.00 0.00 +0.009 A ATOM 7 C LIG 1 0.130 0.641 -0.256 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -1.128 -0.184 -0.334 0.00 0.00 +0.061 C ATOM 9 C LIG 1 -2.285 0.473 -1.126 0.00 0.00 +0.142 C ATOM 10 C LIG 1 -3.638 -0.070 -0.632 0.00 0.00 +0.117 C ATOM 11 N LIG 1 -3.912 0.287 0.770 0.00 0.00 -0.296 NA ATOM 12 C LIG 1 -2.702 0.339 1.604 0.00 0.00 +0.086 C ATOM 13 C LIG 1 -1.579 -0.569 1.102 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -0.497 -1.413 -1.037 0.00 0.00 +0.243 C ATOM 15 O LIG 1 0.892 -1.514 -0.627 0.00 0.00 -0.490 OA ATOM 16 C LIG 1 1.227 -0.208 -0.404 0.00 0.00 +0.130 A ATOM 17 C LIG 1 2.500 0.274 -0.290 0.00 0.00 +0.024 A ATOM 18 C LIG 1 3.814 -0.410 -0.371 0.00 0.00 +0.148 C ENDROOT BRANCH 1 25 ATOM 19 O LIG 1 9.603 -1.610 0.846 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 8.630 -0.909 0.586 0.00 0.00 +0.219 C ATOM 21 N LIG 1 7.761 -0.511 1.571 0.00 0.00 -0.255 N ATOM 22 H LIG 1 7.943 -0.909 2.483 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 6.473 -0.063 1.383 0.00 0.00 +0.240 C ATOM 24 O LIG 1 5.650 -0.148 2.291 0.00 0.00 -0.273 OA ATOM 25 C LIG 1 6.179 0.524 -0.009 0.00 0.00 +0.163 C ATOM 26 C LIG 1 6.837 -0.355 -1.069 0.00 0.00 +0.041 C ATOM 27 C LIG 1 8.335 -0.420 -0.812 0.00 0.00 +0.098 C ENDBRANCH 1 25 BRANCH 9 28 ATOM 28 O LIG 1 -2.163 0.263 -2.533 0.00 0.00 -0.390 OA ATOM 29 H LIG 1 -2.850 0.800 -2.966 0.00 0.00 +0.210 HD ENDBRANCH 9 28 BRANCH 11 30 ATOM 30 C LIG 1 -4.946 -0.582 1.361 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 C LIG 1 -6.291 -0.470 0.674 0.00 0.00 -0.033 A ATOM 32 C LIG 1 -6.871 -1.583 0.050 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -8.113 -1.475 -0.578 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.788 -0.255 -0.588 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.222 0.858 0.030 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.981 0.752 0.658 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 11 30 TORSDOF 4