REMARK Name = BDB010541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.011 0.371 0.101 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -0.450 1.657 -0.097 0.00 0.00 +0.116 A ATOM 3 C LIG 1 0.529 2.241 -0.887 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.469 3.493 -1.367 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -0.638 4.137 -0.996 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.643 3.676 -0.215 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 1.562 1.389 -1.117 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.568 2.406 0.246 0.00 0.00 +0.103 A ATOM 9 C LIG 1 1.286 0.299 -0.441 0.00 0.00 +0.201 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -2.650 1.972 1.111 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -3.882 1.573 0.578 0.00 0.00 +0.133 A ATOM 12 F LIG 1 -4.066 1.561 -0.751 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -4.931 1.159 1.396 0.00 0.00 +0.040 A ATOM 14 C LIG 1 -4.763 1.145 2.780 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.547 1.550 3.330 0.00 0.00 +0.042 A ATOM 16 CL LIG 1 -3.334 1.530 5.036 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -2.497 1.964 2.507 0.00 0.00 +0.033 A ENDBRANCH 8 10 BRANCH 5 18 ATOM 18 C LIG 1 -0.807 5.527 -1.477 0.00 0.00 +0.220 A ATOM 19 N LIG 1 -1.920 6.202 -1.143 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -2.689 5.868 -0.588 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -1.822 7.415 -1.701 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -2.649 8.309 -1.618 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -0.633 7.486 -2.382 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 0.008 6.215 -2.209 0.00 0.00 -0.051 NA ENDBRANCH 5 18 BRANCH 9 25 ATOM 25 N LIG 1 2.061 -0.814 -0.361 0.00 0.00 -0.289 N ATOM 26 C LIG 1 2.663 -1.230 0.923 0.00 0.00 +0.132 C ATOM 27 C LIG 1 3.018 -2.748 0.815 0.00 0.00 +0.187 C ATOM 28 O LIG 1 3.650 -3.188 -0.399 0.00 0.00 -0.376 OA ATOM 29 C LIG 1 4.005 -2.116 -1.271 0.00 0.00 +0.179 C ATOM 30 C LIG 1 2.817 -1.192 -1.574 0.00 0.00 +0.136 C BRANCH 26 31 ATOM 31 C LIG 1 3.816 -0.364 1.446 0.00 0.00 -0.025 A ATOM 32 C LIG 1 4.344 0.740 0.759 0.00 0.00 +0.005 A ATOM 33 C LIG 1 5.383 1.504 1.301 0.00 0.00 +0.000 A ATOM 34 C LIG 1 5.911 1.186 2.548 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.396 0.107 3.258 0.00 0.00 +0.000 A ATOM 36 C LIG 1 4.357 -0.654 2.716 0.00 0.00 +0.005 A ENDBRANCH 26 31 ENDBRANCH 9 25 BRANCH 1 37 ATOM 37 C LIG 1 -0.742 -0.756 0.624 0.00 0.00 +0.128 C BRANCH 37 42 ATOM 38 C LIG 1 -1.274 -4.591 -2.454 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -2.501 -3.761 -2.061 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -2.390 -2.312 -2.569 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -2.113 -1.279 -1.472 0.00 0.00 +0.005 C ATOM 42 C LIG 1 -1.128 -1.814 -0.428 0.00 0.00 +0.009 C ATOM 43 C LIG 1 -1.698 -3.065 0.270 0.00 0.00 +0.005 C ATOM 44 C LIG 1 -2.751 -3.811 -0.551 0.00 0.00 +0.003 C ENDBRANCH 37 42 ENDBRANCH 1 37 TORSDOF 6