REMARK Name = LIG001083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.255 -0.366 -1.699 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -3.131 -0.110 -2.450 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -1.728 -0.168 -2.040 0.00 0.00 +0.164 C ATOM 4 C LIG 1 -0.937 0.123 -3.322 0.00 0.00 +0.065 C ATOM 5 C LIG 1 -1.861 -0.360 -4.425 0.00 0.00 +0.134 C ATOM 6 C LIG 1 -3.247 -0.007 -3.899 0.00 0.00 +0.140 C ATOM 7 O LIG 1 -5.370 -0.100 -2.151 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.369 0.921 -1.009 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -0.308 0.590 -0.195 0.00 0.00 -0.310 N ATOM 10 H LIG 1 0.152 -0.294 -0.296 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 -1.920 2.014 -0.988 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 0.177 1.488 0.830 0.00 0.00 +0.139 C BRANCH 12 13 ATOM 13 C LIG 1 1.659 1.294 1.022 0.00 0.00 -0.030 A ATOM 14 C LIG 1 2.147 0.367 1.953 0.00 0.00 +0.006 A ATOM 15 C LIG 1 3.525 0.155 2.087 0.00 0.00 +0.009 A ATOM 16 C LIG 1 4.449 0.848 1.292 0.00 0.00 -0.018 A ATOM 17 C LIG 1 3.945 1.764 0.353 0.00 0.00 +0.009 A ATOM 18 C LIG 1 2.572 1.986 0.223 0.00 0.00 +0.006 A BRANCH 16 19 ATOM 19 C LIG 1 5.898 0.597 1.391 0.00 0.00 -0.018 A ATOM 20 C LIG 1 6.407 -0.716 1.313 0.00 0.00 +0.009 A ATOM 21 C LIG 1 7.782 -0.964 1.341 0.00 0.00 +0.005 A ATOM 22 C LIG 1 8.691 0.094 1.451 0.00 0.00 -0.034 A ATOM 23 C LIG 1 8.192 1.405 1.551 0.00 0.00 +0.005 A ATOM 24 C LIG 1 6.815 1.647 1.525 0.00 0.00 +0.009 A BRANCH 22 25 ATOM 25 C LIG 1 10.180 -0.169 1.439 0.00 0.00 +0.153 C BRANCH 25 26 ATOM 26 C LIG 1 10.809 0.191 0.153 0.00 0.00 +0.067 C ATOM 27 N LIG 1 11.322 0.479 -0.846 0.00 0.00 -0.196 NA ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 5 28 ATOM 28 O LIG 1 -1.716 -1.775 -4.570 0.00 0.00 -0.390 OA ATOM 29 H LIG 1 -0.877 -1.934 -5.045 0.00 0.00 +0.210 HD ENDBRANCH 5 28 BRANCH 1 30 ATOM 30 C LIG 1 -4.092 -0.897 -0.252 0.00 0.00 +0.165 C BRANCH 30 32 ATOM 31 C LIG 1 -6.311 -2.221 -0.190 0.00 0.00 +0.013 C ATOM 32 C LIG 1 -4.782 -2.273 -0.014 0.00 0.00 -0.011 C ATOM 33 C LIG 1 -4.211 -3.314 -1.000 0.00 0.00 +0.013 C ATOM 34 C LIG 1 -4.491 -2.748 1.429 0.00 0.00 +0.013 C ENDBRANCH 30 32 BRANCH 30 35 ATOM 35 N LIG 1 -4.582 0.157 0.625 0.00 0.00 -0.297 N ATOM 36 H LIG 1 -5.379 0.708 0.310 0.00 0.00 +0.150 HD ATOM 37 C LIG 1 -3.779 0.706 1.612 0.00 0.00 +0.285 C ATOM 38 O LIG 1 -2.744 0.168 1.996 0.00 0.00 -0.267 OA BRANCH 37 39 ATOM 39 C LIG 1 -4.274 1.983 2.141 0.00 0.00 +0.257 A ATOM 40 N LIG 1 -3.546 2.765 2.950 0.00 0.00 -0.052 NA ATOM 41 O LIG 1 -4.373 3.859 3.176 0.00 0.00 -0.341 OA ATOM 42 C LIG 1 -5.521 3.626 2.501 0.00 0.00 +0.343 A ATOM 43 N LIG 1 -5.532 2.499 1.841 0.00 0.00 -0.190 NA ENDBRANCH 37 39 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 11