REMARK Name = BDB029638 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.522 -1.540 -0.249 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 1.793 -1.343 1.176 0.00 0.00 +0.103 C ATOM 3 C LIG 1 0.502 -1.097 2.001 0.00 0.00 +0.120 C ATOM 4 N LIG 1 -0.487 -0.234 1.308 0.00 0.00 -0.326 N ATOM 5 C LIG 1 0.084 0.527 0.175 0.00 0.00 +0.120 C ATOM 6 C LIG 1 0.809 -0.395 -0.845 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.734 -0.791 0.994 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -2.885 0.005 1.022 0.00 0.00 +0.134 A ATOM 9 N LIG 1 -4.140 -0.407 0.715 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 -4.281 -1.704 0.351 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -3.204 -2.583 0.286 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -1.926 -2.117 0.606 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 -5.648 -2.225 0.007 0.00 0.00 +0.262 C ATOM 14 N LIG 1 -6.765 -1.417 -0.032 0.00 0.00 -0.310 N ATOM 15 H LIG 1 -7.612 -1.949 -0.190 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -5.800 -3.420 -0.256 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 -6.878 -0.010 0.306 0.00 0.00 +0.110 C BRANCH 17 18 ATOM 18 C LIG 1 -8.287 0.517 0.078 0.00 0.00 +0.034 C ATOM 19 C LIG 1 -8.680 0.614 -1.387 0.00 0.00 +0.165 C ATOM 20 O LIG 1 -9.713 1.609 -1.465 0.00 0.00 -0.379 OA ATOM 21 C LIG 1 -9.728 2.347 -0.235 0.00 0.00 +0.160 C ATOM 22 C LIG 1 -8.482 1.950 0.528 0.00 0.00 +0.035 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 2.621 -2.076 -1.048 0.00 0.00 +0.121 C BRANCH 23 33 ATOM 24 C LIG 1 8.231 1.222 -0.665 0.00 0.00 +0.019 A ATOM 25 C LIG 1 8.131 0.325 0.533 0.00 0.00 +0.252 A ATOM 26 O LIG 1 9.009 0.282 1.389 0.00 0.00 -0.268 OA ATOM 27 N LIG 1 7.008 -0.456 0.637 0.00 0.00 -0.321 N ATOM 28 H LIG 1 6.960 -1.053 1.451 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 5.984 -0.454 -0.316 0.00 0.00 +0.068 A ATOM 30 C LIG 1 6.079 0.367 -1.437 0.00 0.00 +0.088 A ATOM 31 N LIG 1 5.141 0.425 -2.405 0.00 0.00 -0.253 NA ATOM 32 C LIG 1 4.061 -0.373 -2.239 0.00 0.00 +0.116 A ATOM 33 C LIG 1 3.861 -1.223 -1.150 0.00 0.00 -0.013 A ATOM 34 C LIG 1 4.863 -1.262 -0.171 0.00 0.00 +0.034 A ATOM 35 C LIG 1 7.254 1.217 -1.590 0.00 0.00 +0.038 A BRANCH 24 37 ATOM 36 C LIG 1 9.416 3.299 0.110 0.00 0.00 +0.009 C ATOM 37 C LIG 1 9.467 2.071 -0.788 0.00 0.00 +0.037 C ENDBRANCH 24 37 ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 7