REMARK Name = BDB011243 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.932 -0.153 -0.198 0.00 0.00 -0.341 N ATOM 2 C LIG 1 -0.347 0.089 0.197 0.00 0.00 +0.057 A ATOM 3 C LIG 1 -1.704 -0.014 -0.399 0.00 0.00 +0.159 C ATOM 4 N LIG 1 -2.501 0.525 0.748 0.00 0.00 -0.254 N ATOM 5 C LIG 1 -1.711 0.806 1.887 0.00 0.00 +0.253 C ATOM 6 O LIG 1 -2.048 1.194 2.993 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -0.359 0.528 1.486 0.00 0.00 +0.061 A ATOM 8 C LIG 1 0.956 0.555 1.946 0.00 0.00 +0.041 A ATOM 9 C LIG 1 1.764 0.131 0.888 0.00 0.00 +0.057 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -3.828 1.010 0.558 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.238 2.309 0.939 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.316 3.363 1.496 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.585 2.689 0.762 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.508 1.827 0.175 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -6.092 0.571 -0.237 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -7.219 -0.504 -0.972 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.770 0.165 -0.051 0.00 0.00 +0.043 A ENDBRANCH 4 10 BRANCH 3 18 ATOM 18 C LIG 1 -2.047 -1.437 -0.802 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -2.088 -2.484 0.136 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -2.398 -3.787 -0.262 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -2.668 -4.056 -1.601 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -3.047 -5.660 -2.092 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -2.632 -3.034 -2.546 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.322 -1.730 -2.150 0.00 0.00 +0.007 A ENDBRANCH 3 18 BRANCH 9 25 ATOM 25 C LIG 1 3.218 -0.032 0.893 0.00 0.00 +0.078 A ATOM 26 C LIG 1 4.104 0.738 0.154 0.00 0.00 +0.230 A ATOM 27 N LIG 1 5.441 0.567 0.166 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 5.904 -0.398 0.969 0.00 0.00 +0.321 A ATOM 29 N LIG 1 5.153 -1.198 1.741 0.00 0.00 -0.202 NA ATOM 30 C LIG 1 3.821 -0.988 1.686 0.00 0.00 +0.131 A BRANCH 26 31 ATOM 31 O LIG 1 3.571 1.731 -0.648 0.00 0.00 -0.479 OA ATOM 32 C LIG 1 4.557 2.538 -1.285 0.00 0.00 +0.279 C ENDBRANCH 26 31 BRANCH 28 33 ATOM 33 O LIG 1 7.274 -0.544 0.954 0.00 0.00 -0.466 OA ATOM 34 C LIG 1 7.737 -1.545 1.849 0.00 0.00 +0.280 C ENDBRANCH 28 33 ENDBRANCH 9 25 BRANCH 1 36 ATOM 35 C LIG 1 1.152 0.285 -2.632 0.00 0.00 +0.027 C ATOM 36 C LIG 1 1.331 -0.697 -1.487 0.00 0.00 +0.119 C ENDBRANCH 1 36 TORSDOF 6