REMARK Name = BDB029574 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.842 0.061 -0.176 0.00 0.00 +0.032 A ATOM 2 C LIG 1 -2.620 -0.469 0.261 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -1.677 0.331 0.920 0.00 0.00 +0.042 A ATOM 4 C LIG 1 -0.379 -0.272 1.340 0.00 0.00 +0.247 C ATOM 5 N LIG 1 0.447 0.504 2.152 0.00 0.00 -0.295 N ATOM 6 C LIG 1 -0.073 1.710 2.790 0.00 0.00 +0.113 C ATOM 7 C LIG 1 -0.912 2.545 1.830 0.00 0.00 +0.055 C ATOM 8 O LIG 1 -0.073 -1.396 0.956 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.947 1.684 1.164 0.00 0.00 -0.034 A ATOM 10 C LIG 1 -3.158 2.224 0.726 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -4.096 1.415 0.074 0.00 0.00 +0.023 A ENDROOT BRANCH 1 12 ATOM 12 N LIG 1 -4.766 -0.806 -0.790 0.00 0.00 -0.314 N ATOM 13 H LIG 1 -4.328 -1.559 -1.311 0.00 0.00 +0.152 HD BRANCH 12 19 ATOM 14 C LIG 1 -10.293 -0.617 -1.893 0.00 0.00 +0.152 C ATOM 15 N LIG 1 -8.878 -0.629 -1.560 0.00 0.00 -0.318 N ATOM 16 C LIG 1 -8.438 0.032 -0.418 0.00 0.00 +0.253 A ATOM 17 O LIG 1 -9.160 0.651 0.360 0.00 0.00 -0.268 OA ATOM 18 C LIG 1 -6.978 -0.037 -0.149 0.00 0.00 +0.093 A ATOM 19 C LIG 1 -6.128 -0.671 -0.976 0.00 0.00 +0.038 A ATOM 20 C LIG 1 -6.694 -1.343 -2.135 0.00 0.00 +0.041 A ATOM 21 C LIG 1 -8.006 -1.304 -2.392 0.00 0.00 +0.090 A ENDBRANCH 12 19 ENDBRANCH 1 12 BRANCH 5 22 ATOM 22 C LIG 1 1.674 -0.091 2.697 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 2.936 0.249 1.876 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 3.031 1.677 1.755 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 2.293 1.939 1.175 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 2.941 -0.433 0.482 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 4.194 -0.416 -0.299 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 5.226 -1.294 0.275 0.00 0.00 +0.120 C ATOM 29 C LIG 1 6.531 -1.274 -0.498 0.00 0.00 -0.030 A ATOM 30 C LIG 1 6.841 -0.210 -1.364 0.00 0.00 -0.042 A ATOM 31 C LIG 1 8.066 -0.199 -2.044 0.00 0.00 +0.004 A ATOM 32 C LIG 1 8.990 -1.225 -1.846 0.00 0.00 +0.000 A ATOM 33 C LIG 1 8.695 -2.271 -0.974 0.00 0.00 +0.000 A ATOM 34 C LIG 1 5.827 0.879 -1.608 0.00 0.00 +0.051 C ATOM 35 C LIG 1 7.473 -2.295 -0.301 0.00 0.00 +0.005 A ATOM 36 C LIG 1 4.739 0.926 -0.525 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 5 22 TORSDOF 7