REMARK Name = BDB055685 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.337 -3.225 -2.618 0.00 0.00 +0.111 A ATOM 2 N LIG 1 -0.639 -2.047 -2.349 0.00 0.00 -0.316 N ATOM 3 C LIG 1 -1.578 -1.043 -2.261 0.00 0.00 +0.135 A ATOM 4 C LIG 1 -2.775 -1.691 -2.417 0.00 0.00 +0.096 A ATOM 5 C LIG 1 -3.991 -0.985 -2.323 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -3.958 0.330 -2.048 0.00 0.00 +0.091 A ATOM 7 N LIG 1 -2.749 1.016 -1.862 0.00 0.00 -0.309 N ATOM 8 C LIG 1 -1.489 0.382 -2.035 0.00 0.00 +0.277 A ATOM 9 O LIG 1 -0.436 1.011 -2.030 0.00 0.00 -0.265 OA ATOM 10 N LIG 1 -2.642 -3.015 -2.644 0.00 0.00 -0.232 NA ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 0.797 -1.953 -2.141 0.00 0.00 +0.120 C ATOM 12 C LIG 1 1.204 -1.288 -0.854 0.00 0.00 -0.021 A ATOM 13 C LIG 1 2.336 -0.495 -1.064 0.00 0.00 -0.042 A ATOM 14 C LIG 1 2.923 0.208 -0.024 0.00 0.00 +0.012 A ATOM 15 C LIG 1 2.370 0.119 1.264 0.00 0.00 -0.017 A ATOM 16 C LIG 1 1.234 -0.696 1.464 0.00 0.00 +0.009 A ATOM 17 C LIG 1 2.794 -0.562 -2.489 0.00 0.00 +0.038 C ATOM 18 C LIG 1 0.653 -1.410 0.411 0.00 0.00 +0.006 A ATOM 19 C LIG 1 1.557 -1.132 -3.200 0.00 0.00 +0.034 C BRANCH 15 20 ATOM 20 C LIG 1 2.943 0.888 2.381 0.00 0.00 -0.007 A ATOM 21 C LIG 1 4.199 0.598 2.961 0.00 0.00 +0.028 A ATOM 22 C LIG 1 4.671 1.383 4.029 0.00 0.00 +0.012 A ATOM 23 C LIG 1 3.915 2.442 4.529 0.00 0.00 +0.001 A ATOM 24 C LIG 1 2.676 2.731 3.967 0.00 0.00 +0.001 A ATOM 25 C LIG 1 2.197 1.962 2.906 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 C LIG 1 5.026 -0.511 2.505 0.00 0.00 +0.180 A ATOM 27 N LIG 1 5.283 -1.626 3.253 0.00 0.00 -0.239 N ATOM 28 H LIG 1 4.959 -1.868 4.180 0.00 0.00 +0.192 HD ATOM 29 N LIG 1 6.099 -2.456 2.590 0.00 0.00 -0.046 NA ATOM 30 N LIG 1 6.316 -1.861 1.424 0.00 0.00 -0.023 NA ATOM 31 N LIG 1 5.668 -0.650 1.361 0.00 0.00 -0.108 NA ENDBRANCH 21 26 ENDBRANCH 15 20 ENDBRANCH 2 11 BRANCH 1 33 ATOM 32 C LIG 1 -0.510 -5.316 -1.538 0.00 0.00 +0.012 C ATOM 33 C LIG 1 -0.708 -4.563 -2.843 0.00 0.00 +0.071 C ENDBRANCH 1 33 BRANCH 7 34 ATOM 34 C LIG 1 -2.757 2.458 -1.629 0.00 0.00 +0.160 C BRANCH 34 35 ATOM 35 C LIG 1 -3.629 2.893 -0.461 0.00 0.00 -0.016 A ATOM 36 C LIG 1 -3.302 2.598 0.884 0.00 0.00 +0.060 A ATOM 37 C LIG 1 -4.182 3.015 1.904 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -5.348 3.723 1.608 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -5.659 4.021 0.287 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -4.808 3.612 -0.738 0.00 0.00 +0.006 A BRANCH 36 41 ATOM 41 C LIG 1 -2.049 1.839 1.272 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -0.923 2.349 0.707 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.807 1.857 2.617 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.099 0.522 0.936 0.00 0.00 -0.166 F ENDBRANCH 36 41 ENDBRANCH 34 35 ENDBRANCH 7 34 TORSDOF 7