REMARK Name = LIG000950 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.952 -0.662 0.298 0.00 0.00 +0.028 A ATOM 2 C LIG 1 -1.719 0.261 -0.439 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -3.094 0.297 -0.269 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -4.117 1.146 -0.941 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -5.348 0.759 -0.265 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -5.150 -0.296 0.608 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -5.981 -0.936 1.221 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.707 -0.554 0.642 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.997 -1.451 1.410 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -1.607 -1.485 1.241 0.00 0.00 +0.023 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -6.643 1.257 -0.714 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -7.355 0.198 -1.555 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -6.884 -0.226 -2.612 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -8.530 -0.308 -1.061 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -8.975 -1.018 -1.625 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -9.113 -0.078 0.157 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -10.154 -0.654 0.467 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -8.417 0.877 1.093 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.528 1.871 0.369 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 N LIG 1 0.438 -0.620 0.153 0.00 0.00 -0.340 N ATOM 21 H LIG 1 0.721 -0.284 -0.765 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 1.249 -1.747 0.595 0.00 0.00 +0.137 C BRANCH 22 30 ATOM 23 C LIG 1 7.447 0.165 -0.410 0.00 0.00 +0.162 A ATOM 24 C LIG 1 6.874 0.956 0.604 0.00 0.00 +0.162 A ATOM 25 C LIG 1 5.549 0.727 0.994 0.00 0.00 +0.058 A ATOM 26 C LIG 1 4.780 -0.281 0.388 0.00 0.00 -0.014 A ATOM 27 C LIG 1 5.353 -1.072 -0.629 0.00 0.00 -0.014 A ATOM 28 C LIG 1 4.580 -2.075 -1.236 0.00 0.00 +0.009 A ATOM 29 C LIG 1 3.258 -2.297 -0.844 0.00 0.00 +0.006 A ATOM 30 C LIG 1 2.681 -1.524 0.169 0.00 0.00 -0.030 A ATOM 31 C LIG 1 3.450 -0.517 0.773 0.00 0.00 +0.013 A ATOM 32 C LIG 1 6.684 -0.839 -1.017 0.00 0.00 +0.058 A BRANCH 23 34 ATOM 33 C LIG 1 9.370 -0.330 -1.742 0.00 0.00 +0.277 C ATOM 34 O LIG 1 8.750 0.453 -0.734 0.00 0.00 -0.491 OA ENDBRANCH 23 34 BRANCH 24 35 ATOM 35 O LIG 1 7.688 1.920 1.148 0.00 0.00 -0.491 OA ATOM 36 C LIG 1 7.150 2.734 2.179 0.00 0.00 +0.277 C ENDBRANCH 24 35 ENDBRANCH 22 30 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 6