REMARK Name = BDB055628 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.294 0.346 -0.158 0.00 0.00 +0.094 A ATOM 2 C LIG 1 -0.037 0.125 0.165 0.00 0.00 +0.136 A ATOM 3 N LIG 1 -0.942 1.120 0.048 0.00 0.00 -0.199 NA ATOM 4 C LIG 1 -0.539 2.337 -0.355 0.00 0.00 +0.221 A ATOM 5 N LIG 1 0.731 2.625 -0.659 0.00 0.00 -0.222 NA ATOM 6 C LIG 1 1.625 1.625 -0.545 0.00 0.00 +0.131 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 3.316 -0.713 -0.985 0.00 0.00 -0.308 N ATOM 8 H LIG 1 3.167 -0.189 -1.839 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 2.329 -0.695 -0.018 0.00 0.00 +0.249 C ATOM 10 O LIG 1 2.272 -1.481 0.922 0.00 0.00 -0.270 OA BRANCH 7 15 ATOM 11 C LIG 1 7.949 -3.930 -1.251 0.00 0.00 +0.104 C ATOM 12 N LIG 1 6.653 -3.258 -1.205 0.00 0.00 -0.305 NA ATOM 13 C LIG 1 6.513 -2.271 -2.270 0.00 0.00 +0.086 C ATOM 14 C LIG 1 5.059 -1.796 -2.364 0.00 0.00 +0.037 C ATOM 15 C LIG 1 4.351 -1.747 -0.999 0.00 0.00 +0.076 C ATOM 16 C LIG 1 5.379 -1.538 0.115 0.00 0.00 +0.037 C ATOM 17 C LIG 1 6.411 -2.672 0.123 0.00 0.00 +0.086 C ENDBRANCH 7 15 ENDBRANCH 1 9 BRANCH 2 18 ATOM 18 N LIG 1 -0.474 -1.159 0.514 0.00 0.00 -0.325 N ATOM 19 H LIG 1 0.247 -1.613 1.089 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 -1.822 -1.417 1.020 0.00 0.00 +0.072 C ATOM 21 C LIG 1 -2.123 -0.689 2.340 0.00 0.00 +0.024 C ATOM 22 C LIG 1 -3.620 -0.429 2.549 0.00 0.00 +0.020 C ATOM 23 C LIG 1 -4.476 -1.573 1.978 0.00 0.00 +0.056 C ATOM 24 C LIG 1 -4.280 -1.702 0.449 0.00 0.00 +0.020 C ATOM 25 C LIG 1 -2.908 -1.218 -0.039 0.00 0.00 +0.024 C BRANCH 23 26 ATOM 26 N LIG 1 -5.880 -1.508 2.430 0.00 0.00 -0.305 NA ATOM 27 C LIG 1 -6.640 -2.701 2.054 0.00 0.00 +0.104 C ATOM 28 C LIG 1 -6.601 -0.299 2.038 0.00 0.00 +0.104 C ENDBRANCH 23 26 ENDBRANCH 18 20 ENDBRANCH 2 18 BRANCH 4 29 ATOM 29 N LIG 1 -1.553 3.287 -0.437 0.00 0.00 -0.283 N ATOM 30 H LIG 1 -2.422 2.850 -0.161 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -1.595 4.641 -0.786 0.00 0.00 +0.036 A ATOM 32 C LIG 1 -0.472 5.384 -1.165 0.00 0.00 +0.043 A ATOM 33 C LIG 1 -0.587 6.736 -1.507 0.00 0.00 +0.044 A ATOM 34 CL LIG 1 0.817 7.619 -1.969 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 -1.820 7.376 -1.479 0.00 0.00 +0.040 A ATOM 36 C LIG 1 -2.942 6.650 -1.106 0.00 0.00 +0.044 A ATOM 37 CL LIG 1 -4.482 7.419 -1.065 0.00 0.00 -0.083 Cl ATOM 38 C LIG 1 -2.836 5.299 -0.763 0.00 0.00 +0.043 A ENDBRANCH 29 31 ENDBRANCH 4 29 TORSDOF 7