REMARK Name = BDB018639 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.558 -0.300 -1.347 0.00 0.00 +0.222 A ATOM 2 N LIG 1 -0.738 -0.155 -1.027 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -1.685 -0.536 -1.909 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -1.331 -1.061 -3.131 0.00 0.00 +0.064 A ATOM 5 C LIG 1 0.013 -1.176 -3.383 0.00 0.00 +0.118 A ATOM 6 N LIG 1 0.966 -0.806 -2.515 0.00 0.00 -0.223 NA ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -3.041 -0.375 -1.523 0.00 0.00 -0.232 N ATOM 8 C LIG 1 -3.449 0.233 -0.243 0.00 0.00 +0.061 C ATOM 9 C LIG 1 -2.897 1.655 0.001 0.00 0.00 +0.028 C ATOM 10 C LIG 1 -3.436 2.284 1.290 0.00 0.00 +0.002 C ATOM 11 C LIG 1 -3.579 1.291 2.443 0.00 0.00 +0.000 C ATOM 12 C LIG 1 -2.752 0.029 2.236 0.00 0.00 +0.002 C ATOM 13 C LIG 1 -3.140 -0.713 0.953 0.00 0.00 +0.028 C ATOM 14 C LIG 1 -4.986 0.337 -0.438 0.00 0.00 +0.136 C ATOM 15 N LIG 1 -5.287 -0.676 -1.419 0.00 0.00 -0.279 N ATOM 16 C LIG 1 -4.146 -0.950 -2.181 0.00 0.00 +0.311 C ATOM 17 O LIG 1 -4.165 -1.577 -3.229 0.00 0.00 -0.252 OA BRANCH 15 18 ATOM 18 C LIG 1 -6.618 -0.852 -1.968 0.00 0.00 +0.144 C BRANCH 18 19 ATOM 19 C LIG 1 -7.669 -1.044 -0.905 0.00 0.00 -0.030 A ATOM 20 C LIG 1 -7.663 -2.200 -0.109 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -8.626 -2.380 0.885 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -9.603 -1.409 1.094 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -9.618 -0.257 0.309 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -8.656 -0.074 -0.686 0.00 0.00 +0.005 A ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 3 7 BRANCH 1 25 ATOM 25 N LIG 1 1.453 0.114 -0.379 0.00 0.00 -0.268 N ATOM 26 H LIG 1 0.993 0.468 0.444 0.00 0.00 +0.156 HD BRANCH 25 30 ATOM 27 C LIG 1 5.617 0.316 0.136 0.00 0.00 +0.048 A ATOM 28 C LIG 1 4.646 0.715 1.057 0.00 0.00 +0.136 A ATOM 29 N LIG 1 3.297 0.648 0.887 0.00 0.00 -0.238 NA ATOM 30 C LIG 1 2.829 0.151 -0.275 0.00 0.00 +0.125 A ATOM 31 C LIG 1 3.705 -0.277 -1.259 0.00 0.00 +0.045 A ATOM 32 C LIG 1 5.088 -0.193 -1.050 0.00 0.00 +0.028 A BRANCH 27 37 ATOM 33 C LIG 1 10.763 0.399 1.985 0.00 0.00 +0.105 C ATOM 34 N LIG 1 9.931 0.669 0.816 0.00 0.00 -0.302 NA ATOM 35 C LIG 1 8.958 1.751 1.069 0.00 0.00 +0.103 C ATOM 36 C LIG 1 7.519 1.297 1.412 0.00 0.00 +0.120 C ATOM 37 N LIG 1 6.975 0.409 0.369 0.00 0.00 -0.326 N ATOM 38 C LIG 1 7.960 -0.323 -0.445 0.00 0.00 +0.120 C ATOM 39 C LIG 1 9.258 -0.567 0.360 0.00 0.00 +0.103 C ENDBRANCH 27 37 ENDBRANCH 25 30 ENDBRANCH 1 25 TORSDOF 6