REMARK Name = BDB021447 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.287 -0.110 0.738 0.00 0.00 -0.030 A ATOM 2 C LIG 1 2.343 -1.141 0.832 0.00 0.00 +0.051 A ATOM 3 C LIG 1 1.108 -1.100 0.154 0.00 0.00 +0.133 A ATOM 4 O LIG 1 0.374 -2.219 0.419 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -0.941 -2.330 -0.098 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -0.960 -2.189 -1.608 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -1.175 -0.799 -1.976 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -0.423 0.250 -1.461 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -0.743 1.419 -1.685 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.810 0.004 -0.651 0.00 0.00 +0.078 A ATOM 11 C LIG 1 1.763 1.046 -0.734 0.00 0.00 +0.017 A ATOM 12 C LIG 1 2.981 0.995 -0.053 0.00 0.00 +0.006 A ENDROOT BRANCH 1 13 ATOM 13 C LIG 1 4.597 -0.191 1.492 0.00 0.00 +0.119 C BRANCH 13 17 ATOM 14 C LIG 1 7.954 -0.158 0.534 0.00 0.00 +0.120 C ATOM 15 C LIG 1 6.922 -0.319 -0.590 0.00 0.00 +0.047 C ATOM 16 C LIG 1 5.857 -1.369 -0.265 0.00 0.00 +0.087 C ATOM 17 N LIG 1 5.412 -1.362 1.133 0.00 0.00 -0.298 NA ATOM 18 C LIG 1 6.535 -1.551 2.069 0.00 0.00 +0.087 C ATOM 19 C LIG 1 7.928 -1.368 1.462 0.00 0.00 +0.047 C BRANCH 14 21 ATOM 20 C LIG 1 9.524 1.247 -0.574 0.00 0.00 +0.194 C ATOM 21 O LIG 1 9.279 -0.026 0.010 0.00 0.00 -0.380 OA ENDBRANCH 14 21 ENDBRANCH 13 17 ENDBRANCH 1 13 BRANCH 7 22 ATOM 22 C LIG 1 -2.309 -0.499 -2.857 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -3.655 -0.403 -2.119 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -4.720 -0.550 -3.072 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -5.482 -0.087 -2.664 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -3.837 0.938 -1.374 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -5.232 1.104 -0.887 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -5.505 0.213 0.262 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.838 0.473 0.935 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -7.498 1.704 0.778 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -8.716 1.931 1.434 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -9.262 0.952 2.263 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.600 -0.261 2.438 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.929 2.749 -0.146 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -7.393 -0.499 1.780 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.450 2.503 -0.471 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 8