REMARK Name = BDB064535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.035 0.388 -0.274 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.286 0.145 -1.471 0.00 0.00 +0.004 A ATOM 3 C LIG 1 1.047 0.634 -1.565 0.00 0.00 -0.004 A ATOM 4 C LIG 1 1.786 0.410 -2.753 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.247 -0.291 -3.829 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.045 -0.780 -3.746 0.00 0.00 +0.001 A ATOM 7 C LIG 1 1.593 1.325 -0.456 0.00 0.00 +0.049 A ATOM 8 C LIG 1 0.856 1.576 0.700 0.00 0.00 +0.016 A ATOM 9 C LIG 1 -0.795 -0.561 -2.589 0.00 0.00 +0.010 A ATOM 10 C LIG 1 -0.447 1.108 0.781 0.00 0.00 +0.024 A ENDROOT BRANCH 1 14 ATOM 11 N LIG 1 -5.339 -0.421 0.428 0.00 0.00 -0.298 NA ATOM 12 C LIG 1 -4.740 0.838 -0.098 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.367 0.725 -0.814 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.361 -0.024 -0.035 0.00 0.00 -0.328 N ATOM 15 C LIG 1 -2.580 -1.474 -0.009 0.00 0.00 +0.106 C ATOM 16 C LIG 1 -3.417 -1.862 1.201 0.00 0.00 +0.034 C ATOM 17 C LIG 1 -4.523 -0.879 1.580 0.00 0.00 +0.086 C BRANCH 11 19 ATOM 18 C LIG 1 -7.635 0.563 -0.119 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -6.762 -0.267 0.839 0.00 0.00 +0.051 C ATOM 20 C LIG 1 -7.413 -1.659 0.942 0.00 0.00 +0.024 C ENDBRANCH 11 19 ENDBRANCH 1 14 BRANCH 7 21 ATOM 21 C LIG 1 2.989 1.793 -0.467 0.00 0.00 +0.282 C ATOM 22 N LIG 1 4.070 1.018 -0.007 0.00 0.00 -0.162 N ATOM 23 C LIG 1 4.099 -0.263 0.541 0.00 0.00 +0.219 A ATOM 24 N LIG 1 5.326 -0.563 0.884 0.00 0.00 -0.192 NA ATOM 25 C LIG 1 6.067 0.539 0.508 0.00 0.00 +0.202 A ATOM 26 N LIG 1 5.335 1.512 -0.053 0.00 0.00 -0.139 NA ATOM 27 O LIG 1 3.193 2.923 -0.912 0.00 0.00 -0.265 OA BRANCH 25 28 ATOM 28 C LIG 1 7.523 0.599 0.715 0.00 0.00 +0.110 A ATOM 29 N LIG 1 8.181 1.700 0.264 0.00 0.00 -0.252 NA ATOM 30 C LIG 1 9.516 1.752 0.456 0.00 0.00 +0.111 A ATOM 31 C LIG 1 10.244 0.754 1.079 0.00 0.00 +0.020 A ATOM 32 C LIG 1 9.564 -0.368 1.536 0.00 0.00 +0.004 A ATOM 33 C LIG 1 8.185 -0.450 1.353 0.00 0.00 +0.031 A ENDBRANCH 25 28 BRANCH 23 34 ATOM 34 N LIG 1 3.045 -1.088 0.722 0.00 0.00 -0.327 N ATOM 35 H LIG 1 3.302 -2.031 1.008 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 2.287 -1.117 0.046 0.00 0.00 +0.145 HD ENDBRANCH 23 34 ENDBRANCH 7 21 TORSDOF 5