REMARK Name = BDB034663 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.539 0.424 0.037 0.00 0.00 +0.252 C ATOM 2 N LIG 1 -0.338 -0.618 0.382 0.00 0.00 -0.293 N ATOM 3 O LIG 1 0.318 1.610 0.283 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -1.709 -0.211 0.783 0.00 0.00 +0.091 C ATOM 5 C LIG 1 -2.611 -0.121 -0.460 0.00 0.00 +0.037 C ATOM 6 C LIG 1 -4.029 0.348 -0.076 0.00 0.00 +0.091 C ATOM 7 C LIG 1 -4.595 -0.589 0.996 0.00 0.00 +0.093 C ATOM 8 N LIG 1 -3.746 -0.623 2.192 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 -4.153 -1.257 2.881 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -2.387 -1.080 1.866 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 -4.945 0.354 -1.294 0.00 0.00 +0.220 C ATOM 12 N LIG 1 -6.115 1.126 -1.327 0.00 0.00 -0.294 N ATOM 13 C LIG 1 -6.812 1.786 -0.175 0.00 0.00 +0.099 C ATOM 14 C LIG 1 -5.944 2.672 0.725 0.00 0.00 +0.030 C ATOM 15 C LIG 1 -7.983 2.697 -0.643 0.00 0.00 +0.182 C ATOM 16 O LIG 1 -8.843 2.058 -1.584 0.00 0.00 -0.376 OA ATOM 17 C LIG 1 -8.097 1.753 -2.761 0.00 0.00 +0.179 C ATOM 18 C LIG 1 -7.010 0.739 -2.437 0.00 0.00 +0.136 C ATOM 19 O LIG 1 -4.643 -0.365 -2.256 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 21 ATOM 20 C LIG 1 3.025 0.511 -0.168 0.00 0.00 +0.135 A ATOM 21 C LIG 1 1.788 0.150 -0.677 0.00 0.00 +0.095 A ATOM 22 C LIG 1 1.770 -0.351 -1.957 0.00 0.00 +0.129 A ATOM 23 N LIG 1 2.883 -0.593 -2.675 0.00 0.00 -0.239 NA ATOM 24 C LIG 1 4.059 -0.287 -2.093 0.00 0.00 +0.134 A ATOM 25 N LIG 1 4.152 0.261 -0.863 0.00 0.00 -0.217 NA BRANCH 24 26 ATOM 26 C LIG 1 5.332 -0.555 -2.857 0.00 0.00 +0.057 C ATOM 27 C LIG 1 5.682 -1.965 -3.277 0.00 0.00 +0.012 C ATOM 28 C LIG 1 6.475 -1.293 -2.196 0.00 0.00 +0.012 C ENDBRANCH 24 26 BRANCH 20 29 ATOM 29 N LIG 1 3.119 1.081 1.129 0.00 0.00 -0.325 N ATOM 30 H LIG 1 2.363 1.767 1.223 0.00 0.00 +0.148 HD BRANCH 29 33 ATOM 31 C LIG 1 6.346 1.440 1.089 0.00 0.00 +0.121 C ATOM 32 C LIG 1 5.206 2.480 1.049 0.00 0.00 +0.054 C ATOM 33 C LIG 1 4.302 1.514 1.819 0.00 0.00 +0.077 C ATOM 34 C LIG 1 5.439 0.491 1.902 0.00 0.00 +0.054 C BRANCH 31 36 ATOM 35 C LIG 1 8.626 0.949 1.754 0.00 0.00 +0.194 C ATOM 36 O LIG 1 7.556 1.883 1.747 0.00 0.00 -0.380 OA ENDBRANCH 31 36 ENDBRANCH 29 33 ENDBRANCH 20 29 ENDBRANCH 1 21 BRANCH 2 37 ATOM 37 C LIG 1 -0.033 -2.053 0.215 0.00 0.00 +0.111 C BRANCH 37 38 ATOM 38 C LIG 1 0.475 -2.756 1.492 0.00 0.00 +0.000 C ATOM 39 C LIG 1 1.802 -2.189 1.994 0.00 0.00 +0.009 C ATOM 40 C LIG 1 0.623 -4.257 1.225 0.00 0.00 +0.009 C ENDBRANCH 37 38 ENDBRANCH 2 37 TORSDOF 9