REMARK Name = BDB035866 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.831 2.118 1.381 0.00 0.00 -0.294 NA ATOM 2 C LIG 1 1.275 0.846 1.844 0.00 0.00 +0.089 C ATOM 3 C LIG 1 -0.264 0.860 1.762 0.00 0.00 +0.051 C ATOM 4 C LIG 1 -0.780 1.462 0.474 0.00 0.00 -0.040 C ATOM 5 C LIG 1 0.059 2.127 -0.344 0.00 0.00 -0.007 C ATOM 6 C LIG 1 1.512 2.357 -0.028 0.00 0.00 +0.112 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.201 1.285 0.128 0.00 0.00 -0.004 A ATOM 8 C LIG 1 -2.846 0.057 0.225 0.00 0.00 +0.121 A ATOM 9 N LIG 1 -4.155 -0.152 -0.063 0.00 0.00 -0.240 NA ATOM 10 C LIG 1 -4.888 0.894 -0.471 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -4.336 2.165 -0.600 0.00 0.00 +0.044 A ATOM 12 C LIG 1 -2.986 2.359 -0.297 0.00 0.00 +0.013 A BRANCH 10 13 ATOM 13 N LIG 1 -6.245 0.748 -0.784 0.00 0.00 -0.266 N ATOM 14 H LIG 1 -6.721 1.581 -1.084 0.00 0.00 +0.157 HD ATOM 15 C LIG 1 -6.961 -0.430 -0.711 0.00 0.00 +0.252 C ATOM 16 O LIG 1 -6.531 -1.522 -0.360 0.00 0.00 -0.270 OA BRANCH 15 17 ATOM 17 C LIG 1 -8.365 -0.294 -1.101 0.00 0.00 +0.074 A ATOM 18 C LIG 1 -9.288 -1.326 -1.106 0.00 0.00 +0.121 A ATOM 19 N LIG 1 -10.470 -0.799 -1.527 0.00 0.00 -0.274 N ATOM 20 C LIG 1 -11.723 -1.495 -1.692 0.00 0.00 +0.172 C ATOM 21 N LIG 1 -10.397 0.515 -1.803 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 -9.122 0.817 -1.544 0.00 0.00 +0.147 A ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 3.241 2.327 1.718 0.00 0.00 +0.121 C BRANCH 23 33 ATOM 24 C LIG 1 7.404 -2.264 -0.303 0.00 0.00 +0.019 A ATOM 25 C LIG 1 6.753 -2.744 0.961 0.00 0.00 +0.252 A ATOM 26 O LIG 1 7.018 -3.836 1.453 0.00 0.00 -0.268 OA ATOM 27 N LIG 1 5.840 -1.907 1.550 0.00 0.00 -0.321 N ATOM 28 H LIG 1 5.414 -2.247 2.401 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 5.493 -0.658 1.022 0.00 0.00 +0.068 A ATOM 30 C LIG 1 6.087 -0.213 -0.157 0.00 0.00 +0.088 A ATOM 31 N LIG 1 5.813 0.976 -0.731 0.00 0.00 -0.253 NA ATOM 32 C LIG 1 4.902 1.750 -0.097 0.00 0.00 +0.116 A ATOM 33 C LIG 1 4.244 1.396 1.083 0.00 0.00 -0.013 A ATOM 34 C LIG 1 4.561 0.157 1.653 0.00 0.00 +0.034 A ATOM 35 C LIG 1 7.065 -1.069 -0.820 0.00 0.00 +0.038 A BRANCH 24 37 ATOM 36 C LIG 1 9.752 -3.159 -0.269 0.00 0.00 +0.009 C ATOM 37 C LIG 1 8.395 -3.184 -0.960 0.00 0.00 +0.037 C ENDBRANCH 24 37 ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 6