REMARK Name = BDB024951 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.295 0.229 -1.154 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.362 -0.728 -0.714 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.826 -2.110 -0.470 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.383 -2.260 0.951 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.750 -3.141 -0.797 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.512 -2.898 0.035 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.083 -1.461 -0.035 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.746 -1.131 0.294 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.271 -1.969 0.672 0.00 0.00 -0.228 NA ATOM 10 C LIG 1 -1.338 -1.210 0.853 0.00 0.00 +0.152 A ATOM 11 N LIG 1 -1.025 0.123 0.638 0.00 0.00 -0.321 N ATOM 12 C LIG 1 0.305 0.181 0.255 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.154 1.222 -0.115 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.482 0.894 -0.430 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.979 -0.420 -0.398 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.068 1.393 -1.462 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.913 1.273 0.798 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.445 2.238 1.897 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.496 3.324 2.170 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.263 3.773 0.914 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.498 3.477 -0.372 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.214 1.984 -0.536 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.847 4.491 2.879 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.936 4.738 4.070 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.087 5.257 2.076 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -0.721 5.943 2.674 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.557 0.645 -1.671 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.565 -0.281 -1.226 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.682 -1.778 1.233 0.00 0.00 +0.236 C ATOM 30 C LIG 1 -2.973 -1.558 2.715 0.00 0.00 +0.060 C BRANCH 29 31 ATOM 31 O LIG 1 -3.724 -1.155 0.470 0.00 0.00 -0.481 OA BRANCH 31 32 ATOM 32 C LIG 1 -3.988 -1.621 -0.789 0.00 0.00 +0.122 A ATOM 33 C LIG 1 -3.189 -2.490 -1.532 0.00 0.00 +0.045 A ATOM 34 C LIG 1 -3.576 -2.869 -2.822 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -4.758 -2.380 -3.374 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.556 -1.507 -2.639 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -5.168 -1.128 -1.353 0.00 0.00 +0.045 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7