REMARK Name = LIG000826 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.765 -1.057 1.871 0.00 0.00 +0.140 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.420 -1.112 0.943 0.00 0.00 -0.030 A ATOM 3 C LIG 1 1.647 -0.536 1.321 0.00 0.00 +0.011 A ATOM 4 C LIG 1 2.705 -0.588 0.428 0.00 0.00 -0.018 A ATOM 5 C LIG 1 4.100 -0.076 0.575 0.00 0.00 +0.144 C ATOM 6 N LIG 1 4.698 -0.415 -0.711 0.00 0.00 -0.282 N ATOM 7 C LIG 1 3.822 -1.105 -1.534 0.00 0.00 +0.248 C ATOM 8 O LIG 1 4.051 -1.595 -2.623 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.545 -1.188 -0.819 0.00 0.00 +0.042 A ATOM 10 C LIG 1 1.355 -1.756 -1.227 0.00 0.00 +0.014 A ATOM 11 C LIG 1 0.283 -1.710 -0.334 0.00 0.00 +0.006 A BRANCH 6 12 ATOM 12 C LIG 1 6.130 -0.334 -0.991 0.00 0.00 +0.163 C ATOM 13 C LIG 1 6.846 0.878 -0.369 0.00 0.00 +0.240 C ATOM 14 O LIG 1 6.277 1.897 0.015 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 8.217 0.789 -0.288 0.00 0.00 -0.255 N ATOM 16 H LIG 1 8.678 1.583 0.137 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 8.979 -0.348 -0.380 0.00 0.00 +0.219 C ATOM 18 O LIG 1 10.156 -0.349 -0.032 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 8.302 -1.567 -0.956 0.00 0.00 +0.098 C ATOM 20 C LIG 1 6.837 -1.621 -0.557 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 22 ATOM 21 C LIG 1 -2.907 0.128 2.047 0.00 0.00 +0.260 C ATOM 22 N LIG 1 -1.647 0.020 1.510 0.00 0.00 -0.306 N ATOM 23 H LIG 1 -1.269 0.871 1.100 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 -3.455 -0.712 2.742 0.00 0.00 -0.269 OA BRANCH 21 25 ATOM 25 C LIG 1 -3.609 1.443 1.697 0.00 0.00 +0.124 C ATOM 26 N LIG 1 -2.850 2.408 1.246 0.00 0.00 -0.189 NA BRANCH 26 27 ATOM 27 N LIG 1 -3.457 3.571 0.871 0.00 0.00 -0.282 N ATOM 28 H LIG 1 -2.792 4.249 0.494 0.00 0.00 +0.164 HD ATOM 29 H LIG 1 -4.237 3.454 0.226 0.00 0.00 +0.164 HD ENDBRANCH 26 27 BRANCH 25 30 ATOM 30 C LIG 1 -5.108 1.484 1.905 0.00 0.00 +0.097 C BRANCH 30 36 ATOM 31 C LIG 1 -8.046 -0.255 -2.838 0.00 0.00 +0.045 C ATOM 32 C LIG 1 -7.307 0.215 -1.618 0.00 0.00 -0.032 A ATOM 33 C LIG 1 -7.279 1.563 -1.238 0.00 0.00 +0.044 A ATOM 34 CL LIG 1 -8.095 2.777 -2.159 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 -6.581 1.970 -0.096 0.00 0.00 +0.024 A ATOM 36 C LIG 1 -5.884 1.040 0.686 0.00 0.00 -0.040 A ATOM 37 C LIG 1 -5.921 -0.309 0.315 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -6.621 -0.715 -0.824 0.00 0.00 +0.005 A ENDBRANCH 30 36 ENDBRANCH 25 30 ENDBRANCH 21 25 ENDBRANCH 1 22 TORSDOF 7