REMARK Name = BDB058119 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.059 3.522 0.973 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -1.722 3.458 0.958 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -1.147 2.250 0.859 0.00 0.00 +0.223 A ATOM 4 N LIG 1 -1.839 1.108 0.777 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -3.174 1.175 0.775 0.00 0.00 +0.126 A ATOM 6 C LIG 1 -3.829 2.385 0.864 0.00 0.00 +0.087 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -3.715 4.763 1.031 0.00 0.00 -0.329 N ATOM 8 H LIG 1 -4.477 4.731 1.701 0.00 0.00 +0.147 HD BRANCH 7 10 ATOM 9 C LIG 1 -2.450 6.140 2.642 0.00 0.00 +0.024 C ATOM 10 C LIG 1 -2.876 5.947 1.194 0.00 0.00 +0.099 C ENDBRANCH 7 10 ENDBRANCH 1 7 BRANCH 3 11 ATOM 11 N LIG 1 0.247 2.273 0.859 0.00 0.00 -0.284 N ATOM 12 H LIG 1 0.550 3.235 0.889 0.00 0.00 +0.155 HD BRANCH 11 13 ATOM 13 C LIG 1 1.241 1.295 0.738 0.00 0.00 +0.034 A ATOM 14 C LIG 1 0.975 -0.074 0.613 0.00 0.00 +0.033 A ATOM 15 C LIG 1 2.024 -1.014 0.505 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.058 -2.428 0.367 0.00 0.00 +0.027 A ATOM 17 C LIG 1 3.378 -2.811 0.314 0.00 0.00 +0.087 A ATOM 18 N LIG 1 4.152 -1.678 0.401 0.00 0.00 -0.342 N ATOM 19 C LIG 1 3.345 -0.563 0.530 0.00 0.00 +0.049 A ATOM 20 C LIG 1 3.649 0.798 0.662 0.00 0.00 +0.028 A ATOM 21 C LIG 1 2.583 1.703 0.766 0.00 0.00 +0.025 A BRANCH 18 22 ATOM 22 C LIG 1 5.611 -1.689 0.409 0.00 0.00 +0.157 C BRANCH 22 23 ATOM 23 C LIG 1 6.189 -1.935 -0.963 0.00 0.00 -0.028 A ATOM 24 C LIG 1 5.983 -1.022 -2.008 0.00 0.00 +0.005 A ATOM 25 C LIG 1 6.531 -1.251 -3.271 0.00 0.00 +0.000 A ATOM 26 C LIG 1 7.294 -2.393 -3.504 0.00 0.00 +0.000 A ATOM 27 C LIG 1 7.510 -3.307 -2.475 0.00 0.00 +0.000 A ATOM 28 C LIG 1 6.962 -3.080 -1.211 0.00 0.00 +0.005 A ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 11 13 ENDBRANCH 3 11 BRANCH 5 29 ATOM 29 N LIG 1 -3.960 0.008 0.660 0.00 0.00 -0.326 N ATOM 30 H LIG 1 -4.596 -0.003 1.453 0.00 0.00 +0.148 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.226 -1.261 0.519 0.00 0.00 +0.072 C ATOM 32 C LIG 1 -2.696 -1.429 -0.913 0.00 0.00 +0.025 C ATOM 33 C LIG 1 -3.804 -1.459 -1.971 0.00 0.00 +0.033 C ATOM 34 C LIG 1 -5.146 -1.962 -1.439 0.00 0.00 +0.115 C ATOM 35 C LIG 1 -4.958 -2.985 -0.326 0.00 0.00 +0.033 C ATOM 36 C LIG 1 -4.172 -2.431 0.866 0.00 0.00 +0.025 C BRANCH 34 37 ATOM 37 O LIG 1 -5.872 -2.553 -2.514 0.00 0.00 -0.392 OA ATOM 38 H LIG 1 -6.747 -2.801 -2.172 0.00 0.00 +0.210 HD ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 5 29 TORSDOF 9