REMARK Name = LIG000268 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.755 0.018 -0.843 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.674 -0.655 -0.323 0.00 0.00 -0.286 N ATOM 3 C LIG 1 0.241 0.003 0.602 0.00 0.00 +0.164 C ATOM 4 C LIG 1 0.883 -1.149 1.368 0.00 0.00 +0.065 C ATOM 5 C LIG 1 0.947 -2.265 0.324 0.00 0.00 +0.134 C ATOM 6 C LIG 1 -0.324 -2.056 -0.506 0.00 0.00 +0.140 C ATOM 7 O LIG 1 -2.005 1.177 -0.495 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.319 0.809 -0.153 0.00 0.00 +0.234 C ATOM 9 N LIG 1 1.982 1.725 0.637 0.00 0.00 -0.310 N ATOM 10 H LIG 1 1.789 1.758 1.629 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 1.609 0.603 -1.330 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 3.146 2.437 0.163 0.00 0.00 +0.139 C BRANCH 12 13 ATOM 13 C LIG 1 4.402 1.776 0.669 0.00 0.00 -0.030 A ATOM 14 C LIG 1 5.045 2.240 1.822 0.00 0.00 +0.006 A ATOM 15 C LIG 1 6.189 1.595 2.304 0.00 0.00 +0.009 A ATOM 16 C LIG 1 6.716 0.470 1.651 0.00 0.00 -0.018 A ATOM 17 C LIG 1 6.063 0.009 0.498 0.00 0.00 +0.009 A ATOM 18 C LIG 1 4.918 0.650 0.015 0.00 0.00 +0.006 A BRANCH 16 19 ATOM 19 C LIG 1 7.915 -0.210 2.164 0.00 0.00 -0.018 A ATOM 20 C LIG 1 9.055 -0.370 1.359 0.00 0.00 +0.008 A ATOM 21 C LIG 1 10.193 -1.020 1.844 0.00 0.00 +0.001 A ATOM 22 C LIG 1 10.208 -1.523 3.142 0.00 0.00 +0.000 A ATOM 23 C LIG 1 9.088 -1.375 3.957 0.00 0.00 +0.001 A ATOM 24 C LIG 1 7.952 -0.722 3.472 0.00 0.00 +0.008 A ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 5 25 ATOM 25 O LIG 1 0.997 -3.537 0.950 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 0.175 -3.666 1.457 0.00 0.00 +0.210 HD ENDBRANCH 5 25 BRANCH 1 27 ATOM 27 C LIG 1 -2.671 -0.728 -1.849 0.00 0.00 +0.165 C BRANCH 27 29 ATOM 28 C LIG 1 -2.830 1.269 -3.493 0.00 0.00 +0.013 C ATOM 29 C LIG 1 -2.515 -0.230 -3.321 0.00 0.00 -0.011 C ATOM 30 C LIG 1 -1.079 -0.483 -3.819 0.00 0.00 +0.013 C ATOM 31 C LIG 1 -3.475 -1.030 -4.230 0.00 0.00 +0.013 C ENDBRANCH 27 29 BRANCH 27 32 ATOM 32 N LIG 1 -4.031 -0.551 -1.346 0.00 0.00 -0.299 N ATOM 33 H LIG 1 -4.400 0.397 -1.342 0.00 0.00 +0.150 HD ATOM 34 C LIG 1 -4.549 -1.393 -0.387 0.00 0.00 +0.251 C ATOM 35 O LIG 1 -4.001 -2.438 -0.050 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -5.792 -0.949 0.213 0.00 0.00 +0.117 A ATOM 37 C LIG 1 -6.501 0.217 -0.014 0.00 0.00 +0.226 A ATOM 38 O LIG 1 -6.255 1.264 -0.811 0.00 0.00 -0.476 OA ATOM 39 C LIG 1 -7.347 2.178 -0.994 0.00 0.00 +0.232 C ATOM 40 C LIG 1 -8.062 2.490 0.318 0.00 0.00 +0.064 C ATOM 41 C LIG 1 -8.588 1.196 0.926 0.00 0.00 +0.150 C ATOM 42 N LIG 1 -7.584 0.158 0.822 0.00 0.00 -0.232 N ATOM 43 N LIG 1 -7.660 -0.963 1.554 0.00 0.00 -0.176 NA ATOM 44 C LIG 1 -6.562 -1.633 1.185 0.00 0.00 +0.151 A ENDBRANCH 34 36 ENDBRANCH 27 32 ENDBRANCH 1 27 TORSDOF 9