REMARK Name = BDB041075 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.098 1.845 2.348 0.00 0.00 -0.246 N ATOM 2 C LIG 1 -0.919 0.702 2.483 0.00 0.00 +0.174 A ATOM 3 C LIG 1 -0.949 0.034 3.692 0.00 0.00 +0.179 A ATOM 4 C LIG 1 -1.717 -1.108 3.728 0.00 0.00 +0.162 A ATOM 5 N LIG 1 -2.432 -1.563 2.681 0.00 0.00 -0.232 NA ATOM 6 C LIG 1 -2.366 -0.828 1.558 0.00 0.00 +0.162 A ATOM 7 O LIG 1 -0.255 0.378 4.808 0.00 0.00 -0.478 OA ATOM 8 C LIG 1 0.232 1.707 4.779 0.00 0.00 +0.325 C ATOM 9 N LIG 1 -1.627 0.287 1.414 0.00 0.00 -0.208 NA ATOM 10 C LIG 1 0.572 2.360 3.440 0.00 0.00 +0.259 C ATOM 11 O LIG 1 1.341 3.320 3.383 0.00 0.00 -0.271 OA ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -3.099 -1.316 0.380 0.00 0.00 +0.023 A ATOM 13 C LIG 1 -4.021 -0.527 -0.357 0.00 0.00 -0.034 A ATOM 14 C LIG 1 -4.624 -1.081 -1.508 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.352 -2.385 -1.916 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -3.474 -3.170 -1.183 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -2.858 -2.640 -0.049 0.00 0.00 +0.012 A BRANCH 13 18 ATOM 18 C LIG 1 -4.393 0.895 0.062 0.00 0.00 +0.014 C ATOM 19 C LIG 1 -3.840 1.920 -0.931 0.00 0.00 +0.012 C ATOM 20 C LIG 1 -5.907 1.069 0.237 0.00 0.00 +0.012 C ENDBRANCH 13 18 ENDBRANCH 6 12 BRANCH 1 21 ATOM 21 C LIG 1 0.113 2.418 1.024 0.00 0.00 +0.150 C BRANCH 21 25 ATOM 22 C LIG 1 3.132 0.211 -1.195 0.00 0.00 +0.066 A ATOM 23 C LIG 1 3.496 1.158 -0.219 0.00 0.00 +0.028 A ATOM 24 C LIG 1 2.527 1.876 0.489 0.00 0.00 +0.007 A ATOM 25 C LIG 1 1.167 1.673 0.233 0.00 0.00 -0.030 A ATOM 26 C LIG 1 0.803 0.747 -0.751 0.00 0.00 +0.007 A ATOM 27 C LIG 1 1.773 0.027 -1.462 0.00 0.00 +0.028 A BRANCH 22 30 ATOM 28 C LIG 1 2.926 -2.399 -3.099 0.00 0.00 +0.066 C ATOM 29 C LIG 1 4.122 -1.596 -2.743 0.00 0.00 +0.042 A ATOM 30 N LIG 1 4.170 -0.503 -1.879 0.00 0.00 -0.236 N ATOM 31 N LIG 1 5.461 -0.100 -1.695 0.00 0.00 -0.162 NA ATOM 32 C LIG 1 6.216 -0.868 -2.494 0.00 0.00 +0.166 A ATOM 33 C LIG 1 5.418 -1.812 -3.169 0.00 0.00 +0.057 A BRANCH 32 34 ATOM 34 C LIG 1 7.710 -0.712 -2.597 0.00 0.00 +0.436 C ATOM 35 F LIG 1 8.243 -1.561 -3.521 0.00 0.00 -0.164 F ATOM 36 F LIG 1 8.342 -0.980 -1.424 0.00 0.00 -0.164 F ATOM 37 F LIG 1 8.081 0.541 -2.973 0.00 0.00 -0.164 F ENDBRANCH 32 34 ENDBRANCH 22 30 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 6