REMARK Name = BDB038950 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.701 -0.160 -0.238 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -5.583 0.619 0.003 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -4.281 -0.009 -0.186 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -3.114 0.785 0.343 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.280 2.068 0.915 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -2.180 2.777 1.417 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.883 2.262 1.346 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.726 1.002 0.760 0.00 0.00 +0.071 A ATOM 9 N LIG 1 0.372 0.197 0.517 0.00 0.00 -0.309 N ATOM 10 C LIG 1 -0.084 -0.961 -0.077 0.00 0.00 +0.199 A ATOM 11 N LIG 1 -1.384 -0.929 -0.250 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 -4.665 2.651 1.042 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -1.803 0.269 0.269 0.00 0.00 +0.096 A ATOM 14 C LIG 1 -5.620 2.076 -0.000 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -6.664 -1.366 -0.454 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 0.762 -1.969 -0.425 0.00 0.00 -0.301 N ATOM 17 C LIG 1 0.686 -2.307 -1.864 0.00 0.00 +0.108 C ATOM 18 C LIG 1 1.810 -3.279 -2.221 0.00 0.00 +0.019 C ATOM 19 C LIG 1 1.745 -4.536 -1.358 0.00 0.00 +0.003 C ATOM 20 C LIG 1 1.697 -4.174 0.124 0.00 0.00 +0.019 C ATOM 21 C LIG 1 0.575 -3.176 0.411 0.00 0.00 +0.108 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 -9.034 -0.214 -0.447 0.00 0.00 +0.282 C ATOM 23 O LIG 1 -7.857 0.560 -0.210 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 1.761 0.547 0.818 0.00 0.00 +0.092 C ATOM 25 C LIG 1 2.325 -0.301 1.961 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 2.650 0.529 -0.443 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 3.914 1.347 -0.291 0.00 0.00 -0.045 A ATOM 28 C LIG 1 5.128 0.728 0.034 0.00 0.00 +0.018 A ATOM 29 C LIG 1 6.290 1.492 0.182 0.00 0.00 +0.059 A ATOM 30 C LIG 1 6.246 2.883 0.036 0.00 0.00 +0.015 A ATOM 31 C LIG 1 5.039 3.504 -0.287 0.00 0.00 +0.001 A ATOM 32 C LIG 1 3.882 2.740 -0.455 0.00 0.00 +0.004 A BRANCH 29 33 ATOM 33 C LIG 1 7.550 0.798 0.531 0.00 0.00 +0.337 C ATOM 34 O LIG 1 7.607 -0.113 1.337 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 8.610 1.253 -0.169 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 8.382 1.861 -0.897 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 7