REMARK Name = LIG000707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.328 0.320 -2.182 0.00 0.00 -0.207 N ATOM 2 H LIG 1 0.541 0.299 -3.180 0.00 0.00 +0.175 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.478 0.636 -1.390 0.00 0.00 +0.049 A ATOM 4 C LIG 1 2.698 -0.012 -1.621 0.00 0.00 +0.030 A ATOM 5 C LIG 1 3.770 0.307 -0.805 0.00 0.00 -0.016 A ATOM 6 C LIG 1 5.167 -0.217 -0.820 0.00 0.00 +0.144 C ATOM 7 N LIG 1 5.770 0.458 0.323 0.00 0.00 -0.282 N ATOM 8 C LIG 1 4.914 1.387 0.894 0.00 0.00 +0.248 C ATOM 9 O LIG 1 5.148 2.174 1.791 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.626 1.255 0.206 0.00 0.00 +0.042 A ATOM 11 C LIG 1 2.436 1.915 0.448 0.00 0.00 +0.015 A ATOM 12 C LIG 1 1.347 1.592 -0.366 0.00 0.00 +0.025 A BRANCH 7 13 ATOM 13 C LIG 1 7.205 0.472 0.582 0.00 0.00 +0.163 C ATOM 14 C LIG 1 7.978 1.269 -0.484 0.00 0.00 +0.240 C ATOM 15 O LIG 1 7.454 1.994 -1.327 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 9.346 1.116 -0.453 0.00 0.00 -0.255 N ATOM 17 H LIG 1 9.845 1.629 -1.168 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 10.017 0.026 0.041 0.00 0.00 +0.219 C ATOM 19 O LIG 1 11.170 -0.216 -0.303 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 9.271 -0.835 1.033 0.00 0.00 +0.098 C ATOM 21 C LIG 1 7.796 -0.931 0.677 0.00 0.00 +0.041 C ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 22 ATOM 22 S LIG 1 -0.466 -1.130 -1.834 0.00 0.00 +0.109 S ATOM 23 O LIG 1 -1.482 -1.300 -2.842 0.00 0.00 -0.138 OA ATOM 24 O LIG 1 0.523 -2.149 -1.582 0.00 0.00 -0.138 OA BRANCH 22 25 ATOM 25 N LIG 1 -1.186 -0.760 -0.379 0.00 0.00 -0.177 NA ATOM 26 H LIG 1 -0.506 -0.705 0.376 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.258 0.246 -0.365 0.00 0.00 +0.108 C BRANCH 27 28 ATOM 28 C LIG 1 -3.085 0.108 0.920 0.00 0.00 +0.028 C BRANCH 28 29 ATOM 29 C LIG 1 -4.296 -0.891 0.861 0.00 0.00 -0.003 C ATOM 30 C LIG 1 -3.714 -2.321 0.675 0.00 0.00 +0.016 C BRANCH 29 31 ATOM 31 C LIG 1 -5.295 -0.476 -0.256 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.978 0.768 -0.251 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -6.857 1.101 -1.294 0.00 0.00 +0.046 A ATOM 34 C LIG 1 -7.089 0.217 -2.343 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -6.439 -1.006 -2.365 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -5.555 -1.345 -1.338 0.00 0.00 +0.008 A BRANCH 32 37 ATOM 37 O LIG 1 -5.712 1.627 0.784 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -6.651 2.667 1.032 0.00 0.00 +0.277 C ENDBRANCH 32 37 ENDBRANCH 29 31 BRANCH 29 40 ATOM 39 C LIG 1 -6.249 -1.719 2.405 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -4.984 -0.874 2.272 0.00 0.00 +0.008 C ENDBRANCH 29 40 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 1 22 TORSDOF 10