REMARK Name = BDB021493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.793 -1.666 0.066 0.00 0.00 +0.125 A ATOM 2 C LIG 1 2.945 -1.007 -0.818 0.00 0.00 +0.092 A ATOM 3 C LIG 1 1.578 -1.348 -0.931 0.00 0.00 +0.136 A ATOM 4 O LIG 1 0.972 -0.556 -1.863 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -0.310 -0.927 -2.337 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -1.331 -0.855 -1.222 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -1.447 -2.147 -0.566 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -0.373 -2.858 -0.046 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -0.577 -3.926 0.540 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.043 -2.364 -0.127 0.00 0.00 +0.079 A ATOM 11 C LIG 1 1.930 -3.029 0.753 0.00 0.00 +0.020 A ATOM 12 C LIG 1 3.282 -2.689 0.847 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 5.128 -1.403 0.234 0.00 0.00 -0.486 OA BRANCH 13 17 ATOM 14 C LIG 1 7.322 2.539 0.894 0.00 0.00 +0.216 C ATOM 15 N LIG 1 6.707 1.483 0.275 0.00 0.00 -0.294 N ATOM 16 C LIG 1 7.137 0.111 0.082 0.00 0.00 +0.154 C ATOM 17 C LIG 1 5.682 -0.198 -0.340 0.00 0.00 +0.208 C ATOM 18 C LIG 1 5.293 1.147 0.312 0.00 0.00 +0.154 C ATOM 19 O LIG 1 6.696 3.513 1.305 0.00 0.00 -0.276 OA BRANCH 14 21 ATOM 20 C LIG 1 9.472 3.647 1.612 0.00 0.00 +0.013 C ATOM 21 C LIG 1 8.829 2.406 1.016 0.00 0.00 +0.092 C ENDBRANCH 14 21 ENDBRANCH 13 17 ENDBRANCH 1 13 BRANCH 7 22 ATOM 22 C LIG 1 -2.800 -2.635 -0.279 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -3.291 -2.358 1.156 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -4.527 -3.049 1.397 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -4.328 -4.001 1.334 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -3.453 -0.857 1.498 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -4.164 -0.017 0.508 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -5.581 -0.424 0.378 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.414 0.527 -0.461 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -5.989 1.844 -0.705 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -6.791 2.707 -1.465 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -8.022 2.274 -1.956 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.457 0.976 -1.699 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.647 2.303 -0.201 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -7.659 0.107 -0.953 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -4.101 1.399 0.910 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 8