REMARK Name = BDB036723 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.549 2.584 0.216 0.00 0.00 +0.152 A ATOM 2 C LIG 1 1.155 2.582 0.080 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.006 1.704 -0.038 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.122 2.699 -0.089 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -0.666 4.140 -0.079 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -1.219 4.904 1.125 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -0.958 4.859 -1.400 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.448 2.373 -0.262 0.00 0.00 +0.303 C ATOM 9 N LIG 1 -2.716 1.026 -0.223 0.00 0.00 -0.295 N ATOM 10 H LIG 1 -2.165 0.517 0.448 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -3.328 3.206 -0.453 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 0.783 3.890 0.065 0.00 0.00 +0.066 A ATOM 13 N LIG 1 1.901 4.630 0.187 0.00 0.00 -0.277 N ATOM 14 H LIG 1 2.021 5.638 0.216 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 2.998 3.847 0.274 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 4.692 1.434 0.494 0.00 0.00 +0.249 C ATOM 17 N LIG 1 3.332 1.450 0.260 0.00 0.00 -0.265 N ATOM 18 H LIG 1 2.845 0.572 0.178 0.00 0.00 +0.157 HD ATOM 19 O LIG 1 5.424 2.370 0.787 0.00 0.00 -0.270 OA BRANCH 16 23 ATOM 20 C LIG 1 6.482 -2.473 0.330 0.00 0.00 +0.034 A ATOM 21 C LIG 1 5.545 -2.087 -0.639 0.00 0.00 +0.024 A ATOM 22 C LIG 1 4.953 -0.820 -0.599 0.00 0.00 +0.015 A ATOM 23 C LIG 1 5.298 0.077 0.417 0.00 0.00 +0.037 A ATOM 24 C LIG 1 6.251 -0.291 1.370 0.00 0.00 +0.015 A ATOM 25 C LIG 1 6.834 -1.563 1.329 0.00 0.00 +0.024 A BRANCH 20 27 ATOM 26 C LIG 1 7.893 -4.387 1.091 0.00 0.00 +0.241 C ATOM 27 N LIG 1 7.031 -3.766 0.215 0.00 0.00 -0.282 N ATOM 28 H LIG 1 6.719 -4.313 -0.575 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 8.278 -3.974 2.178 0.00 0.00 -0.271 OA BRANCH 26 31 ATOM 30 C LIG 1 8.537 -6.122 -0.608 0.00 0.00 +0.013 C ATOM 31 C LIG 1 8.322 -5.747 0.660 0.00 0.00 +0.060 C ENDBRANCH 26 31 ENDBRANCH 20 27 ENDBRANCH 16 23 ENDBRANCH 1 17 BRANCH 9 32 ATOM 32 C LIG 1 -4.090 0.531 -0.398 0.00 0.00 +0.092 C BRANCH 32 33 ATOM 33 C LIG 1 -4.085 -0.944 -0.880 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -3.413 -1.087 -2.263 0.00 0.00 +0.033 C ATOM 35 C LIG 1 -2.804 -2.470 -2.475 0.00 0.00 +0.160 C ATOM 36 O LIG 1 -3.599 -3.464 -1.842 0.00 0.00 -0.380 OA ATOM 37 C LIG 1 -3.581 -3.369 -0.418 0.00 0.00 +0.160 C ATOM 38 C LIG 1 -3.458 -1.936 0.106 0.00 0.00 +0.033 C ENDBRANCH 32 33 BRANCH 32 39 ATOM 39 C LIG 1 -4.916 0.763 0.906 0.00 0.00 +0.106 C BRANCH 39 40 ATOM 40 N LIG 1 -6.287 0.215 0.899 0.00 0.00 -0.307 NA ATOM 41 C LIG 1 -7.140 0.927 -0.058 0.00 0.00 +0.104 C ATOM 42 C LIG 1 -6.871 0.311 2.240 0.00 0.00 +0.104 C ENDBRANCH 39 40 ENDBRANCH 32 39 ENDBRANCH 9 32 TORSDOF 8