REMARK Name = BDB039182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.226 2.111 -0.126 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.368 1.065 -0.428 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.934 1.178 -0.172 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.103 0.042 -0.711 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.684 -1.054 -1.388 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.884 -2.086 -1.897 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.496 -2.084 -1.732 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.930 -1.003 -1.043 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.371 -0.667 -0.701 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.323 0.517 0.015 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.918 0.959 0.093 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.176 -1.084 -1.610 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.703 0.036 -0.540 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.916 -0.276 -0.549 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.448 2.017 -0.119 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.497 1.250 0.614 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.834 2.502 -0.221 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -1.197 3.772 0.341 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -1.645 4.055 1.784 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -2.027 2.789 2.564 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.223 1.582 2.097 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -2.816 5.011 1.789 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -3.844 4.904 1.140 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -2.642 6.048 2.632 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -3.464 6.573 2.537 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 6.408 4.370 0.466 0.00 0.00 +0.282 C ATOM 27 O LIG 1 5.560 3.262 0.164 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.544 -1.475 -1.060 0.00 0.00 +0.086 C ATOM 29 C LIG 1 -2.583 -0.692 -1.867 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.104 -2.227 0.165 0.00 0.00 +0.028 C BRANCH 30 31 ATOM 31 C LIG 1 -3.281 -3.181 -0.119 0.00 0.00 -0.005 C ATOM 32 C LIG 1 -3.811 -3.773 1.203 0.00 0.00 +0.032 C ATOM 33 C LIG 1 -4.508 -5.117 1.008 0.00 0.00 +0.160 C ATOM 34 O LIG 1 -5.105 -5.177 -0.281 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -4.134 -5.230 -1.326 0.00 0.00 +0.160 C ATOM 36 C LIG 1 -2.927 -4.319 -1.079 0.00 0.00 +0.032 C ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7