REMARK Name = LIG001655 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.252 -0.638 4.808 0.00 0.00 +0.129 A ATOM 2 C LIG 1 -3.326 -0.333 3.942 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -3.853 0.971 3.952 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -3.333 1.949 4.797 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -2.279 1.637 5.650 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.741 0.348 5.660 0.00 0.00 +0.046 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -3.890 -1.329 3.021 0.00 0.00 -0.009 A ATOM 8 C LIG 1 -3.649 -1.288 1.651 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -2.833 -0.325 0.850 0.00 0.00 +0.145 C ATOM 10 N LIG 1 -2.912 -0.880 -0.496 0.00 0.00 -0.282 N ATOM 11 C LIG 1 -3.782 -1.955 -0.569 0.00 0.00 +0.248 C ATOM 12 O LIG 1 -4.137 -2.571 -1.555 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -4.212 -2.245 0.803 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -5.021 -3.270 1.255 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -5.269 -3.331 2.624 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -4.711 -2.373 3.494 0.00 0.00 +0.009 A BRANCH 10 17 ATOM 17 C LIG 1 -2.419 -0.187 -1.681 0.00 0.00 +0.164 C ATOM 18 C LIG 1 -3.224 1.083 -2.000 0.00 0.00 +0.242 C ATOM 19 O LIG 1 -4.310 1.328 -1.471 0.00 0.00 -0.273 OA ATOM 20 N LIG 1 -2.640 1.934 -2.947 0.00 0.00 -0.244 N ATOM 21 C LIG 1 -3.427 3.079 -3.369 0.00 0.00 +0.141 C ATOM 22 C LIG 1 -1.308 1.897 -3.356 0.00 0.00 +0.222 C ATOM 23 O LIG 1 -0.806 2.747 -4.093 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 -0.477 0.722 -2.890 0.00 0.00 +0.099 C ATOM 25 C LIG 1 -0.950 0.173 -1.561 0.00 0.00 +0.041 C ENDBRANCH 10 17 ENDBRANCH 2 7 BRANCH 1 26 ATOM 26 O LIG 1 -1.782 -1.929 4.756 0.00 0.00 -0.482 OA BRANCH 26 27 ATOM 27 C LIG 1 -0.442 -2.164 5.168 0.00 0.00 +0.326 C BRANCH 27 30 ATOM 28 N LIG 1 0.253 -1.546 2.924 0.00 0.00 -0.204 N ATOM 29 H LIG 1 -0.581 -2.082 2.677 0.00 0.00 +0.177 HD ATOM 30 C LIG 1 0.625 -1.538 4.265 0.00 0.00 +0.270 C ATOM 31 O LIG 1 1.691 -1.126 4.720 0.00 0.00 -0.270 OA BRANCH 28 33 ATOM 32 C LIG 1 1.982 -0.321 2.020 0.00 0.00 +0.147 C ATOM 33 N LIG 1 1.023 -1.177 1.851 0.00 0.00 -0.187 NA BRANCH 32 36 ATOM 34 C LIG 1 4.030 0.423 -1.177 0.00 0.00 +0.161 A ATOM 35 S LIG 1 2.747 -0.604 -0.623 0.00 0.00 -0.051 S ATOM 36 C LIG 1 2.847 0.074 0.939 0.00 0.00 +0.053 A ATOM 37 C LIG 1 3.855 1.010 0.962 0.00 0.00 +0.130 A ATOM 38 N LIG 1 4.514 1.206 -0.234 0.00 0.00 -0.232 NA BRANCH 34 43 ATOM 39 C LIG 1 6.219 0.991 -6.183 0.00 0.00 +0.105 C ATOM 40 N LIG 1 5.853 0.088 -5.095 0.00 0.00 -0.302 NA ATOM 41 C LIG 1 4.387 0.072 -4.906 0.00 0.00 +0.103 C ATOM 42 C LIG 1 3.945 -0.430 -3.512 0.00 0.00 +0.122 C ATOM 43 N LIG 1 4.494 0.425 -2.457 0.00 0.00 -0.307 N ATOM 44 C LIG 1 5.721 1.166 -2.773 0.00 0.00 +0.122 C ATOM 45 C LIG 1 6.559 0.422 -3.840 0.00 0.00 +0.103 C ENDBRANCH 34 43 ENDBRANCH 32 36 ENDBRANCH 28 33 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 8