REMARK Name = BDB020426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.090 -1.208 -0.368 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -1.212 -0.725 -0.257 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -2.009 0.346 0.333 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -3.384 -0.020 -0.130 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -3.437 -1.286 -0.967 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -4.208 -2.419 -0.280 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -3.926 -1.028 -2.394 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -4.379 0.881 0.160 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -5.626 0.563 -0.285 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -5.872 -0.409 -0.256 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -4.156 1.927 0.767 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 -1.990 -1.591 -0.959 0.00 0.00 +0.066 A ATOM 13 N LIG 1 -1.178 -2.539 -1.464 0.00 0.00 -0.277 N ATOM 14 H LIG 1 -1.397 -3.348 -2.036 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 0.113 -2.325 -1.113 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 16 ATOM 16 N LIG 1 1.150 -0.611 0.210 0.00 0.00 -0.323 N ATOM 17 H LIG 1 1.055 0.334 0.566 0.00 0.00 +0.148 HD BRANCH 16 21 ATOM 18 C LIG 1 5.761 -0.175 1.671 0.00 0.00 +0.247 C ATOM 19 N LIG 1 4.867 -0.567 0.678 0.00 0.00 -0.296 N ATOM 20 C LIG 1 3.460 -0.700 1.065 0.00 0.00 +0.130 C ATOM 21 C LIG 1 2.515 -1.012 -0.119 0.00 0.00 +0.089 C ATOM 22 C LIG 1 2.995 -0.276 -1.376 0.00 0.00 +0.025 C ATOM 23 C LIG 1 4.442 -0.631 -1.742 0.00 0.00 +0.021 C ATOM 24 C LIG 1 5.239 -1.214 -0.576 0.00 0.00 +0.108 C ATOM 25 O LIG 1 5.429 0.004 2.842 0.00 0.00 -0.270 OA BRANCH 18 29 ATOM 26 C LIG 1 9.876 0.591 0.741 0.00 0.00 +0.034 A ATOM 27 C LIG 1 9.522 -0.254 1.803 0.00 0.00 +0.024 A ATOM 28 C LIG 1 8.179 -0.509 2.097 0.00 0.00 +0.015 A ATOM 29 C LIG 1 7.177 0.071 1.318 0.00 0.00 +0.037 A ATOM 30 C LIG 1 7.517 0.938 0.276 0.00 0.00 +0.015 A ATOM 31 C LIG 1 8.863 1.187 -0.016 0.00 0.00 +0.024 A BRANCH 26 33 ATOM 32 C LIG 1 11.833 1.560 -0.477 0.00 0.00 +0.241 C ATOM 33 N LIG 1 11.254 0.799 0.517 0.00 0.00 -0.282 N ATOM 34 H LIG 1 11.874 0.328 1.161 0.00 0.00 +0.155 HD ATOM 35 O LIG 1 11.262 2.173 -1.369 0.00 0.00 -0.271 OA BRANCH 32 37 ATOM 36 C LIG 1 14.070 2.175 -1.301 0.00 0.00 +0.013 C ATOM 37 C LIG 1 13.322 1.568 -0.371 0.00 0.00 +0.060 C ENDBRANCH 32 37 ENDBRANCH 26 33 ENDBRANCH 18 29 ENDBRANCH 16 21 ENDBRANCH 1 16 BRANCH 9 38 ATOM 38 C LIG 1 -6.759 1.437 -0.022 0.00 0.00 +0.119 C BRANCH 38 39 ATOM 39 C LIG 1 -7.837 1.181 -1.070 0.00 0.00 -0.026 A ATOM 40 C LIG 1 -8.006 2.095 -2.124 0.00 0.00 +0.005 A ATOM 41 C LIG 1 -8.967 1.879 -3.113 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -9.769 0.742 -3.070 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -9.605 -0.182 -2.041 0.00 0.00 +0.000 A ATOM 44 C LIG 1 -8.642 0.032 -1.053 0.00 0.00 +0.005 A ENDBRANCH 38 39 BRANCH 38 45 ATOM 45 C LIG 1 -7.271 1.370 1.456 0.00 0.00 +0.111 C BRANCH 45 46 ATOM 46 N LIG 1 -7.518 0.003 1.997 0.00 0.00 -0.306 NA ATOM 47 C LIG 1 -6.375 -0.470 2.786 0.00 0.00 +0.104 C ATOM 48 C LIG 1 -8.710 0.012 2.853 0.00 0.00 +0.104 C ENDBRANCH 45 46 ENDBRANCH 38 45 ENDBRANCH 9 38 TORSDOF 9