REMARK Name = BDB024779 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.549 4.699 0.205 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -2.529 3.401 -0.338 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -3.478 3.038 -1.420 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -3.127 3.754 -2.738 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.570 1.535 -1.731 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.497 0.719 -0.460 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.181 1.023 0.192 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.400 0.011 0.791 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.649 -1.336 0.875 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.634 -1.854 1.537 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.298 -0.884 1.847 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -0.198 0.328 1.411 0.00 0.00 +0.069 A ATOM 13 C LIG 1 0.271 1.640 1.488 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -0.517 2.641 0.904 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -1.730 2.362 0.258 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -1.850 5.116 1.123 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -3.579 6.816 0.149 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -3.501 5.491 -0.378 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.567 -1.079 2.532 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 2.625 -1.851 1.721 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 2.855 -1.315 0.379 0.00 0.00 -0.299 NA ATOM 22 C LIG 1 3.610 -0.052 0.360 0.00 0.00 +0.106 C ATOM 23 C LIG 1 3.886 0.104 -1.139 0.00 0.00 +0.088 C ATOM 24 C LIG 1 4.168 -1.329 -1.594 0.00 0.00 +0.039 C ATOM 25 C LIG 1 3.632 -2.221 -0.472 0.00 0.00 +0.086 C BRANCH 23 26 ATOM 26 N LIG 1 2.719 0.650 -1.832 0.00 0.00 -0.311 N ATOM 27 H LIG 1 1.907 0.042 -1.854 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 2.468 2.004 -1.796 0.00 0.00 +0.210 C ATOM 29 O LIG 1 3.257 2.826 -1.343 0.00 0.00 -0.276 OA ATOM 30 C LIG 1 1.147 2.401 -2.398 0.00 0.00 +0.109 C ENDBRANCH 23 26 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 -0.510 -3.302 1.872 0.00 0.00 +0.097 C BRANCH 31 32 ATOM 32 C LIG 1 -0.250 -4.118 0.612 0.00 0.00 +0.151 C BRANCH 32 33 ATOM 33 N LIG 1 0.094 -5.489 0.938 0.00 0.00 -0.271 N ATOM 34 N LIG 1 1.334 -5.777 1.381 0.00 0.00 -0.180 NA ATOM 35 C LIG 1 1.296 -7.097 1.584 0.00 0.00 +0.134 A ATOM 36 C LIG 1 0.038 -7.650 1.277 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -0.722 -6.583 0.859 0.00 0.00 +0.108 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8