REMARK Name = LIG000762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.620 0.650 0.661 0.00 0.00 -0.207 N ATOM 2 H LIG 1 -0.320 -0.167 1.187 0.00 0.00 +0.175 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.027 0.878 0.786 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -2.900 -0.209 0.921 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -4.258 0.056 0.995 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -5.408 -0.886 1.115 0.00 0.00 +0.144 C ATOM 7 N LIG 1 -6.547 0.013 1.237 0.00 0.00 -0.282 N ATOM 8 C LIG 1 -6.188 1.336 1.020 0.00 0.00 +0.248 C ATOM 9 O LIG 1 -6.910 2.308 0.915 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -4.725 1.367 0.920 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -3.884 2.452 0.760 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -2.514 2.195 0.687 0.00 0.00 +0.025 A BRANCH 7 13 ATOM 13 C LIG 1 -7.917 -0.486 1.173 0.00 0.00 +0.163 C ATOM 14 C LIG 1 -8.414 -0.567 -0.279 0.00 0.00 +0.240 C ATOM 15 O LIG 1 -7.677 -0.801 -1.236 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -9.776 -0.485 -0.456 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -10.102 -0.574 -1.409 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -10.749 -0.422 0.510 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -11.938 -0.509 0.216 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -10.278 -0.338 1.943 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -8.902 0.303 2.035 0.00 0.00 +0.041 C ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 22 ATOM 22 S LIG 1 -0.087 0.456 -0.927 0.00 0.00 +0.109 S ATOM 23 O LIG 1 -0.337 -0.915 -1.300 0.00 0.00 -0.138 OA ATOM 24 O LIG 1 -0.509 1.571 -1.736 0.00 0.00 -0.138 OA BRANCH 22 25 ATOM 25 N LIG 1 1.548 0.649 -0.674 0.00 0.00 -0.177 NA ATOM 26 H LIG 1 1.984 1.098 -1.484 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 2.347 -0.460 -0.114 0.00 0.00 +0.112 C BRANCH 27 28 ATOM 28 C LIG 1 2.792 -1.469 -1.179 0.00 0.00 +0.055 C BRANCH 28 30 ATOM 29 C LIG 1 4.930 -0.446 -2.118 0.00 0.00 +0.124 A ATOM 30 C LIG 1 3.594 -0.850 -2.304 0.00 0.00 -0.004 A ATOM 31 C LIG 1 2.980 -0.654 -3.553 0.00 0.00 +0.007 A ATOM 32 C LIG 1 3.681 -0.064 -4.602 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.000 0.334 -4.415 0.00 0.00 +0.004 A ATOM 34 C LIG 1 5.624 0.144 -3.179 0.00 0.00 +0.046 A BRANCH 29 35 ATOM 35 O LIG 1 5.449 -0.671 -0.871 0.00 0.00 -0.492 OA BRANCH 35 36 ATOM 36 C LIG 1 6.803 -0.278 -0.636 0.00 0.00 +0.229 C BRANCH 36 37 ATOM 37 C LIG 1 7.143 -0.636 0.811 0.00 0.00 +0.044 C BRANCH 37 39 ATOM 38 C LIG 1 8.987 1.099 1.094 0.00 0.00 +0.007 C ATOM 39 C LIG 1 8.611 -0.381 1.185 0.00 0.00 -0.014 C ATOM 40 C LIG 1 8.884 -0.898 2.599 0.00 0.00 +0.007 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 29 35 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 1 22 TORSDOF 11