REMARK Name = BDB034438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.307 1.381 0.568 0.00 0.00 -0.343 N ATOM 2 H LIG 1 -0.381 0.767 1.375 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.500 2.141 0.428 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -2.771 1.669 0.852 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -3.884 2.505 0.605 0.00 0.00 +0.073 A ATOM 6 C LIG 1 -5.145 2.087 1.009 0.00 0.00 +0.032 A ATOM 7 C LIG 1 -5.363 0.857 1.649 0.00 0.00 -0.041 A ATOM 8 C LIG 1 -4.269 0.026 1.885 0.00 0.00 +0.005 A ATOM 9 N LIG 1 -3.785 3.693 -0.014 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -2.566 4.099 -0.418 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -2.991 0.424 1.491 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -1.413 3.366 -0.234 0.00 0.00 +0.043 A BRANCH 7 13 ATOM 13 C LIG 1 -6.756 0.441 2.062 0.00 0.00 +0.070 C BRANCH 13 14 ATOM 14 C LIG 1 -7.325 -0.686 1.232 0.00 0.00 -0.043 A ATOM 15 C LIG 1 -7.468 -1.972 1.776 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -7.990 -3.013 1.006 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -8.374 -2.781 -0.313 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -8.235 -1.509 -0.866 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -7.712 -0.467 -0.098 0.00 0.00 +0.004 A ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 0.000 0.618 -0.647 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 C LIG 1 1.343 -0.101 -0.490 0.00 0.00 +0.034 C BRANCH 21 22 ATOM 22 C LIG 1 2.518 0.882 -0.459 0.00 0.00 +0.083 C BRANCH 22 23 ATOM 23 N LIG 1 3.823 0.232 -0.281 0.00 0.00 -0.312 NA ATOM 24 H LIG 1 3.765 -0.445 0.484 0.00 0.00 +0.122 HD BRANCH 23 25 ATOM 25 C LIG 1 4.281 -0.469 -1.488 0.00 0.00 +0.120 C BRANCH 25 28 ATOM 26 C LIG 1 8.046 -0.672 -0.675 0.00 0.00 +0.162 A ATOM 27 C LIG 1 6.720 -0.212 -0.740 0.00 0.00 +0.163 A ATOM 28 C LIG 1 5.698 -0.977 -1.335 0.00 0.00 +0.011 A ATOM 29 C LIG 1 6.039 -2.224 -1.880 0.00 0.00 +0.009 A ATOM 30 C LIG 1 7.351 -2.695 -1.814 0.00 0.00 +0.004 A ATOM 31 C LIG 1 8.350 -1.923 -1.216 0.00 0.00 +0.049 A BRANCH 26 33 ATOM 32 C LIG 1 10.303 -0.263 -0.021 0.00 0.00 +0.277 C ATOM 33 O LIG 1 8.949 0.162 -0.069 0.00 0.00 -0.491 OA ENDBRANCH 26 33 BRANCH 27 34 ATOM 34 O LIG 1 6.429 1.016 -0.195 0.00 0.00 -0.503 OA ATOM 35 H LIG 1 5.452 1.064 -0.113 0.00 0.00 +0.292 HD ENDBRANCH 27 34 ENDBRANCH 25 28 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 11