REMARK Name = BDB045167 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.509 0.484 0.711 0.00 0.00 -0.042 A ATOM 2 C LIG 1 -1.249 0.872 1.195 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -0.069 0.367 0.635 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -0.126 -0.537 -0.423 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -1.373 -0.930 -0.909 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -2.552 -0.430 -0.349 0.00 0.00 +0.007 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -6.858 -0.551 0.120 0.00 0.00 +0.403 C ATOM 8 N LIG 1 -5.805 0.264 0.441 0.00 0.00 -0.267 N ATOM 9 C LIG 1 -4.893 0.064 1.558 0.00 0.00 +0.119 C ATOM 10 C LIG 1 -3.754 1.080 1.341 0.00 0.00 +0.042 C ATOM 11 C LIG 1 -4.471 2.192 0.533 0.00 0.00 +0.026 C ATOM 12 C LIG 1 -5.460 1.431 -0.350 0.00 0.00 +0.115 C ATOM 13 O LIG 1 -7.593 -0.368 -0.842 0.00 0.00 -0.226 OA BRANCH 7 14 ATOM 14 O LIG 1 -6.984 -1.581 1.000 0.00 0.00 -0.451 OA BRANCH 14 16 ATOM 15 C LIG 1 -7.608 -3.573 -0.225 0.00 0.00 +0.048 C ATOM 16 C LIG 1 -8.059 -2.495 0.743 0.00 0.00 +0.230 C ENDBRANCH 14 16 ENDBRANCH 7 14 BRANCH 11 17 ATOM 17 C LIG 1 -3.622 3.263 -0.148 0.00 0.00 +0.126 C BRANCH 17 18 ATOM 18 C LIG 1 -2.815 2.825 -1.341 0.00 0.00 +0.305 C ATOM 19 O LIG 1 -3.238 2.273 -2.342 0.00 0.00 -0.251 OA BRANCH 18 20 ATOM 20 O LIG 1 -1.513 3.147 -1.230 0.00 0.00 -0.481 OA ATOM 21 H LIG 1 -1.102 2.744 -2.024 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 11 17 ENDBRANCH 1 10 BRANCH 4 22 ATOM 22 O LIG 1 0.943 -1.096 -1.065 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 2.244 -0.761 -0.574 0.00 0.00 +0.235 C BRANCH 23 24 ATOM 24 C LIG 1 3.275 -1.506 -1.417 0.00 0.00 +0.100 C BRANCH 24 25 ATOM 25 C LIG 1 4.658 -1.299 -0.923 0.00 0.00 +0.086 A ATOM 26 C LIG 1 5.548 -2.200 -0.379 0.00 0.00 +0.126 A ATOM 27 C LIG 1 5.530 -3.640 -0.072 0.00 0.00 +0.088 C ATOM 28 O LIG 1 6.695 -1.523 -0.073 0.00 0.00 -0.440 OA ATOM 29 C LIG 1 6.443 -0.231 -0.454 0.00 0.00 +0.228 A ATOM 30 N LIG 1 5.238 -0.050 -0.963 0.00 0.00 -0.214 NA BRANCH 29 31 ATOM 31 C LIG 1 7.512 0.742 -0.245 0.00 0.00 +0.037 A ATOM 32 C LIG 1 8.743 0.383 0.326 0.00 0.00 +0.013 A ATOM 33 C LIG 1 9.748 1.336 0.514 0.00 0.00 +0.001 A ATOM 34 C LIG 1 9.536 2.659 0.133 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.321 3.032 -0.436 0.00 0.00 +0.001 A ATOM 36 C LIG 1 7.316 2.079 -0.624 0.00 0.00 +0.013 A ENDBRANCH 29 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 11