REMARK Name = LIG001241 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.919 0.700 0.336 0.00 0.00 +0.176 C ATOM 2 C LIG 1 0.952 -0.500 0.200 0.00 0.00 +0.238 C ATOM 3 O LIG 1 0.348 -0.704 -0.863 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.701 -1.292 1.303 0.00 0.00 -0.285 N ATOM 5 C LIG 1 1.453 -1.257 2.552 0.00 0.00 +0.078 C ATOM 6 C LIG 1 1.598 -2.737 2.906 0.00 0.00 +0.025 C ATOM 7 C LIG 1 0.284 -3.349 2.439 0.00 0.00 +0.034 C ATOM 8 C LIG 1 0.715 -0.468 3.642 0.00 0.00 +0.041 C ATOM 9 C LIG 1 0.266 0.936 3.227 0.00 0.00 +0.111 C ATOM 10 N LIG 1 1.294 1.738 2.563 0.00 0.00 -0.284 N ATOM 11 C LIG 1 2.433 2.205 3.184 0.00 0.00 +0.300 C ATOM 12 O LIG 1 3.400 2.671 2.592 0.00 0.00 -0.253 OA ATOM 13 N LIG 1 2.460 2.106 4.533 0.00 0.00 -0.313 N ATOM 14 H LIG 1 1.616 2.377 5.016 0.00 0.00 +0.146 HD ATOM 15 H LIG 1 3.290 2.541 4.922 0.00 0.00 +0.146 HD ATOM 16 C LIG 1 -0.100 -2.527 1.199 0.00 0.00 +0.162 C ATOM 17 C LIG 1 1.232 1.845 1.098 0.00 0.00 +0.141 C ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 3.309 0.506 -1.690 0.00 0.00 +0.230 C ATOM 19 N LIG 1 2.252 1.112 -1.037 0.00 0.00 -0.301 N ATOM 20 H LIG 1 1.459 1.348 -1.625 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 4.099 -0.252 -1.130 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 3.396 0.843 -3.195 0.00 0.00 +0.137 C ATOM 23 C LIG 1 2.484 -0.110 -3.962 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 5.644 1.763 -3.229 0.00 0.00 +0.101 C ATOM 25 N LIG 1 4.780 0.684 -3.691 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 5.138 -0.196 -3.308 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 16 27 ATOM 27 C LIG 1 -1.631 -2.288 1.146 0.00 0.00 +0.234 C ATOM 28 N LIG 1 -2.037 -1.344 0.232 0.00 0.00 -0.307 N ATOM 29 H LIG 1 -1.344 -1.040 -0.453 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 -2.434 -2.962 1.789 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 -3.434 -1.094 -0.080 0.00 0.00 +0.103 C ATOM 32 C LIG 1 -3.603 0.293 -0.686 0.00 0.00 -0.024 A ATOM 33 C LIG 1 -4.424 0.513 -1.810 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -4.550 1.810 -2.335 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -3.902 2.888 -1.735 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.123 2.685 -0.601 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.148 -0.621 -2.495 0.00 0.00 +0.035 C ATOM 38 C LIG 1 -5.315 -1.839 -1.590 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -2.979 1.399 -0.079 0.00 0.00 +0.006 A ATOM 40 C LIG 1 -3.973 -2.219 -0.981 0.00 0.00 +0.027 C ENDBRANCH 28 31 ENDBRANCH 16 27 TORSDOF 5