REMARK Name = BDB039204 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.498 -2.704 2.010 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.514 -2.899 1.056 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.727 -1.735 0.664 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.503 -2.050 -0.159 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.200 -3.368 -0.573 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.050 -3.633 -1.328 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.180 -2.610 -1.719 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.495 -1.306 -1.316 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.122 -0.076 -1.500 0.00 0.00 -0.324 N ATOM 10 C LIG 1 0.683 0.884 -0.910 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.721 0.321 -0.323 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 3.093 -4.506 -0.147 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.627 -1.022 -0.563 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.515 -4.032 0.141 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.644 -1.665 2.642 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 0.453 2.371 -0.905 0.00 0.00 +0.055 C ATOM 17 C LIG 1 1.693 3.109 -1.438 0.00 0.00 +0.012 C ATOM 18 C LIG 1 1.509 4.625 -1.393 0.00 0.00 +0.015 C ATOM 19 C LIG 1 1.145 5.111 0.012 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -0.084 4.370 0.552 0.00 0.00 +0.015 C ATOM 21 C LIG 1 0.109 2.855 0.512 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 0.901 6.603 -0.009 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -0.176 7.174 0.005 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 2.047 7.309 -0.063 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 1.752 8.244 -0.068 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 7.314 -3.637 3.158 0.00 0.00 +0.282 C ATOM 27 O LIG 1 6.292 -3.799 2.175 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.385 0.099 -2.215 0.00 0.00 +0.086 C ATOM 29 C LIG 1 -1.175 0.774 -3.575 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.514 0.774 -1.403 0.00 0.00 +0.028 C BRANCH 30 31 ATOM 31 C LIG 1 -2.855 0.096 -0.055 0.00 0.00 -0.009 C ATOM 32 C LIG 1 -3.335 -1.356 -0.253 0.00 0.00 +0.006 C ATOM 33 C LIG 1 -4.207 -1.822 0.906 0.00 0.00 +0.032 C ATOM 34 C LIG 1 -5.497 -0.996 1.020 0.00 0.00 +0.118 C ATOM 35 C LIG 1 -5.314 0.446 0.521 0.00 0.00 +0.032 C ATOM 36 C LIG 1 -3.884 0.938 0.732 0.00 0.00 +0.006 C BRANCH 34 37 ATOM 37 O LIG 1 -5.926 -0.931 2.386 0.00 0.00 -0.380 OA ATOM 38 C LIG 1 -6.469 -2.154 2.867 0.00 0.00 +0.194 C ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 8