REMARK Name = BDB024833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.376 -3.930 -0.738 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -2.607 -2.542 -0.677 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -3.955 -2.075 -0.285 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -4.170 -2.229 1.228 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.251 -0.656 -0.762 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.213 0.305 -0.229 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -1.833 -0.178 -0.572 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.774 0.757 -0.639 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.799 2.111 -0.402 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.439 2.537 -0.554 0.00 0.00 +0.113 A ATOM 11 N LIG 1 1.263 1.498 -0.928 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.504 0.350 -0.988 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.799 -0.973 -1.301 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -0.249 -1.900 -1.201 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -1.554 -1.551 -0.811 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -1.293 -4.493 -0.850 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -3.365 -6.069 -0.695 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -3.536 -4.652 -0.639 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 2.687 1.570 -1.204 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 3.492 0.970 -0.069 0.00 0.00 +0.233 C ATOM 21 N LIG 1 4.413 0.018 -0.457 0.00 0.00 -0.307 N ATOM 22 H LIG 1 4.403 -0.325 -1.409 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 3.332 1.301 1.103 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 5.033 -0.852 0.523 0.00 0.00 +0.181 C BRANCH 24 25 ATOM 25 C LIG 1 4.219 -2.084 0.599 0.00 0.00 +0.154 A ATOM 26 O LIG 1 4.649 -3.142 -0.138 0.00 0.00 -0.358 OA ATOM 27 N LIG 1 3.749 -4.184 -0.016 0.00 0.00 -0.083 NA ATOM 28 C LIG 1 2.782 -3.739 0.796 0.00 0.00 +0.081 A ATOM 29 C LIG 1 1.624 -4.600 1.126 0.00 0.00 +0.069 C ATOM 30 C LIG 1 3.044 -2.420 1.228 0.00 0.00 +0.072 A ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 0.902 3.947 -0.368 0.00 0.00 +0.097 C BRANCH 31 32 ATOM 32 C LIG 1 -0.130 4.794 0.370 0.00 0.00 +0.151 C BRANCH 32 33 ATOM 33 N LIG 1 0.235 6.199 0.390 0.00 0.00 -0.271 N ATOM 34 N LIG 1 1.409 6.585 0.928 0.00 0.00 -0.180 NA ATOM 35 C LIG 1 1.403 7.912 0.783 0.00 0.00 +0.134 A ATOM 36 C LIG 1 0.239 8.376 0.145 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -0.499 7.242 -0.099 0.00 0.00 +0.108 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8