REMARK Name = BDB038967 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.431 2.730 2.996 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.018 1.816 2.044 0.00 0.00 -0.263 N ATOM 3 C LIG 1 2.610 1.818 1.683 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.164 0.647 0.842 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.055 -0.379 0.412 0.00 0.00 -0.036 A ATOM 6 C LIG 1 2.585 -1.489 -0.343 0.00 0.00 -0.036 A ATOM 7 C LIG 1 1.227 -1.536 -0.721 0.00 0.00 +0.032 A ATOM 8 C LIG 1 0.368 -0.505 -0.317 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.977 -0.248 -0.516 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -1.294 0.905 0.187 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -0.211 1.419 0.733 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.506 -0.261 0.842 0.00 0.00 +0.055 C ATOM 13 C LIG 1 0.815 0.557 0.452 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.928 1.182 1.107 0.00 0.00 +0.116 C ATOM 15 O LIG 1 3.667 3.427 3.653 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -2.669 1.521 0.286 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -2.906 2.496 -0.884 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -2.445 3.921 -0.573 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -3.089 4.495 0.700 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -3.759 3.433 1.578 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.892 2.181 1.666 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -4.056 5.630 0.407 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -3.968 6.739 0.912 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -5.055 5.314 -0.445 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -5.029 4.399 -0.775 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 6 26 ATOM 26 C LIG 1 3.526 -2.614 -0.753 0.00 0.00 +0.047 C ATOM 27 C LIG 1 4.000 -3.495 0.404 0.00 0.00 +0.168 C ATOM 28 O LIG 1 4.447 -4.740 -0.163 0.00 0.00 -0.379 OA ATOM 29 C LIG 1 4.073 -4.763 -1.546 0.00 0.00 +0.160 C ATOM 30 C LIG 1 3.024 -3.687 -1.713 0.00 0.00 +0.038 C ENDBRANCH 6 26 BRANCH 1 32 ATOM 31 C LIG 1 6.248 3.700 4.111 0.00 0.00 +0.282 C ATOM 32 O LIG 1 5.786 2.772 3.130 0.00 0.00 -0.454 OA ENDBRANCH 1 32 BRANCH 9 33 ATOM 33 C LIG 1 -1.904 -1.046 -1.326 0.00 0.00 +0.090 C ATOM 34 C LIG 1 -1.460 -1.134 -2.791 0.00 0.00 +0.031 C BRANCH 33 35 ATOM 35 C LIG 1 -2.172 -2.417 -0.675 0.00 0.00 +0.060 C BRANCH 35 36 ATOM 36 C LIG 1 -3.406 -3.097 -1.221 0.00 0.00 -0.045 A ATOM 37 C LIG 1 -4.679 -2.725 -0.765 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -5.821 -3.339 -1.281 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.702 -4.329 -2.254 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -4.442 -4.707 -2.712 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -3.298 -4.095 -2.198 0.00 0.00 +0.004 A ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 9 33 TORSDOF 8