REMARK Name = BDB062152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.742 -4.482 -0.610 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -2.239 -3.373 0.278 0.00 0.00 -0.041 A ATOM 3 C LIG 1 -3.106 -2.382 0.797 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -2.603 -1.409 1.688 0.00 0.00 -0.041 A ATOM 5 C LIG 1 -3.468 -0.347 2.314 0.00 0.00 +0.044 C ATOM 6 C LIG 1 -1.232 -1.406 1.999 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -0.362 -2.374 1.482 0.00 0.00 -0.033 A ATOM 8 C LIG 1 -0.880 -3.361 0.636 0.00 0.00 +0.009 A ENDROOT BRANCH 3 9 ATOM 9 C LIG 1 -4.511 -2.397 0.416 0.00 0.00 +0.097 A ATOM 10 C LIG 1 -5.133 -1.514 -0.460 0.00 0.00 +0.077 A ATOM 11 N LIG 1 -6.415 -2.015 -0.567 0.00 0.00 -0.333 N ATOM 12 C LIG 1 -7.480 -1.536 -1.415 0.00 0.00 +0.150 C ATOM 13 C LIG 1 -6.519 -3.102 0.255 0.00 0.00 +0.200 A ATOM 14 N LIG 1 -5.385 -3.366 0.856 0.00 0.00 -0.235 NA BRANCH 10 15 ATOM 15 C LIG 1 -4.620 -0.362 -1.212 0.00 0.00 +0.008 A ATOM 16 C LIG 1 -5.058 0.972 -0.963 0.00 0.00 -0.007 A ATOM 17 C LIG 1 -4.555 2.031 -1.770 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.017 3.349 -1.520 0.00 0.00 +0.010 A ATOM 19 C LIG 1 -5.931 3.631 -0.506 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -6.404 2.606 0.294 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -3.612 1.729 -2.787 0.00 0.00 +0.059 A ATOM 22 C LIG 1 -3.178 0.414 -2.999 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -5.970 1.299 0.070 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -3.679 -0.621 -2.219 0.00 0.00 +0.012 A BRANCH 21 25 ATOM 25 C LIG 1 -3.063 2.753 -3.635 0.00 0.00 +0.100 C ATOM 26 N LIG 1 -2.621 3.575 -4.327 0.00 0.00 -0.191 NA ENDBRANCH 21 25 ENDBRANCH 10 15 ENDBRANCH 3 9 BRANCH 7 27 ATOM 27 C LIG 1 1.099 -2.388 1.880 0.00 0.00 +0.119 C BRANCH 27 28 ATOM 28 N LIG 1 1.793 -1.114 1.625 0.00 0.00 -0.298 NA ATOM 29 C LIG 1 1.981 -0.834 0.195 0.00 0.00 +0.086 C ATOM 30 C LIG 1 3.368 -1.202 -0.324 0.00 0.00 +0.038 C ATOM 31 C LIG 1 4.475 -0.471 0.445 0.00 0.00 +0.079 C ATOM 32 C LIG 1 4.022 -0.033 1.842 0.00 0.00 +0.038 C ATOM 33 C LIG 1 3.032 -1.040 2.414 0.00 0.00 +0.086 C BRANCH 31 34 ATOM 34 N LIG 1 4.978 0.668 -0.303 0.00 0.00 -0.278 N ATOM 35 H LIG 1 4.337 1.345 -0.688 0.00 0.00 +0.152 HD ATOM 36 C LIG 1 6.266 1.103 -0.192 0.00 0.00 +0.401 C ATOM 37 O LIG 1 7.156 0.515 0.399 0.00 0.00 -0.226 OA BRANCH 36 38 ATOM 38 O LIG 1 6.383 2.287 -0.836 0.00 0.00 -0.445 OA BRANCH 38 39 ATOM 39 C LIG 1 7.667 2.963 -0.909 0.00 0.00 +0.107 C ATOM 40 C LIG 1 8.695 2.118 -1.672 0.00 0.00 +0.055 C ATOM 41 C LIG 1 8.173 3.366 0.481 0.00 0.00 +0.055 C ATOM 42 C LIG 1 7.390 4.242 -1.714 0.00 0.00 +0.055 C ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 7 27 TORSDOF 8