REMARK Name = BDB005477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.327 0.077 0.553 0.00 0.00 -0.320 N ATOM 2 C LIG 1 0.728 -0.720 0.235 0.00 0.00 +0.077 A ATOM 3 C LIG 1 2.081 -0.603 -0.347 0.00 0.00 +0.161 C ATOM 4 N LIG 1 2.493 -2.046 -0.290 0.00 0.00 -0.250 N ATOM 5 C LIG 1 1.455 -2.893 0.201 0.00 0.00 +0.272 C ATOM 6 O LIG 1 1.443 -4.103 0.357 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 0.371 -1.995 0.516 0.00 0.00 +0.150 A ATOM 8 N LIG 1 -0.901 -2.060 0.972 0.00 0.00 -0.222 NA ATOM 9 C LIG 1 -1.321 -0.795 1.007 0.00 0.00 +0.149 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 3.798 -2.489 -0.679 0.00 0.00 +0.074 A ATOM 11 C LIG 1 4.873 -1.596 -0.845 0.00 0.00 +0.163 A ATOM 12 F LIG 1 4.723 -0.290 -0.571 0.00 0.00 -0.202 F ATOM 13 C LIG 1 6.137 -2.040 -1.249 0.00 0.00 +0.078 A ATOM 14 CL LIG 1 7.435 -0.921 -1.440 0.00 0.00 -0.081 Cl ATOM 15 C LIG 1 6.365 -3.390 -1.492 0.00 0.00 +0.023 A ATOM 16 C LIG 1 5.323 -4.294 -1.324 0.00 0.00 +0.003 A ATOM 17 C LIG 1 4.058 -3.848 -0.921 0.00 0.00 +0.026 A ENDBRANCH 4 10 BRANCH 3 18 ATOM 18 C LIG 1 2.033 -0.042 -1.762 0.00 0.00 -0.021 A ATOM 19 C LIG 1 1.443 -0.752 -2.824 0.00 0.00 +0.007 A ATOM 20 C LIG 1 1.370 -0.195 -4.103 0.00 0.00 +0.020 A ATOM 21 C LIG 1 1.884 1.078 -4.335 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 1.782 1.768 -5.907 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 2.475 1.796 -3.300 0.00 0.00 +0.020 A ATOM 24 C LIG 1 2.550 1.240 -2.021 0.00 0.00 +0.007 A ENDBRANCH 3 18 BRANCH 9 25 ATOM 25 C LIG 1 -2.666 -0.424 1.410 0.00 0.00 +0.097 A ATOM 26 C LIG 1 -3.014 -0.009 2.683 0.00 0.00 +0.231 A ATOM 27 N LIG 1 -4.268 0.333 3.047 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 -5.208 0.212 2.098 0.00 0.00 +0.321 A ATOM 29 N LIG 1 -4.996 -0.206 0.843 0.00 0.00 -0.202 NA ATOM 30 C LIG 1 -3.726 -0.537 0.536 0.00 0.00 +0.133 A BRANCH 26 31 ATOM 31 O LIG 1 -1.998 0.109 3.615 0.00 0.00 -0.479 OA ATOM 32 C LIG 1 -2.469 0.312 4.944 0.00 0.00 +0.279 C ENDBRANCH 26 31 BRANCH 28 33 ATOM 33 O LIG 1 -6.514 0.551 2.375 0.00 0.00 -0.466 OA ATOM 34 C LIG 1 -6.724 0.897 3.736 0.00 0.00 +0.280 C ENDBRANCH 28 33 ENDBRANCH 9 25 BRANCH 1 35 ATOM 35 C LIG 1 -0.373 1.518 0.339 0.00 0.00 +0.112 C ATOM 36 C LIG 1 -0.726 2.336 1.582 0.00 0.00 +0.033 C BRANCH 35 37 ATOM 37 C LIG 1 -1.237 1.892 -0.874 0.00 0.00 +0.184 C BRANCH 37 39 ATOM 38 C LIG 1 -1.679 3.621 -2.417 0.00 0.00 +0.194 C ATOM 39 O LIG 1 -0.946 3.238 -1.259 0.00 0.00 -0.381 OA ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 8