REMARK Name = BDB026930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.492 -1.974 0.063 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.262 -3.291 0.170 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.266 -3.671 -0.734 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.959 -4.874 -0.575 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.667 -5.715 0.496 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.685 -5.351 1.412 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.992 -4.149 1.254 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.017 -1.591 -1.350 0.00 0.00 +0.188 C ATOM 9 O LIG 1 -0.672 -1.759 -2.360 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.381 1.034 0.511 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.443 0.624 -0.767 0.00 0.00 +0.126 A ATOM 12 N LIG 1 3.361 -0.039 -1.344 0.00 0.00 -0.238 N ATOM 13 C LIG 1 2.186 -0.341 -0.636 0.00 0.00 +0.077 A ATOM 14 C LIG 1 1.352 -1.014 -1.514 0.00 0.00 +0.064 A ATOM 15 C LIG 1 2.082 -1.026 -2.724 0.00 0.00 +0.146 A ATOM 16 C LIG 1 2.123 0.099 0.721 0.00 0.00 +0.029 A ATOM 17 N LIG 1 3.285 -0.466 -2.626 0.00 0.00 -0.174 NA ATOM 18 C LIG 1 3.170 0.744 1.268 0.00 0.00 +0.016 A BRANCH 10 21 ATOM 19 N LIG 1 6.226 2.597 0.382 0.00 0.00 -0.312 N ATOM 20 H LIG 1 5.930 2.767 -0.569 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 5.528 1.722 1.178 0.00 0.00 +0.246 C ATOM 22 O LIG 1 5.774 1.528 2.363 0.00 0.00 -0.270 OA BRANCH 19 24 ATOM 23 C LIG 1 8.643 2.516 0.799 0.00 0.00 +0.024 C ATOM 24 C LIG 1 7.368 3.336 0.880 0.00 0.00 +0.101 C ENDBRANCH 19 24 ENDBRANCH 10 21 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -1.194 -0.852 0.740 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -1.528 -1.197 1.642 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.339 -0.307 -0.002 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -2.976 0.891 0.749 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -2.000 2.065 0.901 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -4.263 1.337 0.067 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -5.486 1.226 0.747 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.679 1.625 0.139 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -6.667 2.141 -1.159 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.456 2.256 -1.846 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.263 1.857 -1.237 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -7.891 2.551 -1.783 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -8.883 2.883 -2.287 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 10