REMARK Name = BDB010475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.855 0.054 -1.290 0.00 0.00 +0.150 A ATOM 2 C LIG 1 0.095 0.542 -0.238 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.610 1.565 0.537 0.00 0.00 +0.186 A ATOM 4 N LIG 1 -0.242 1.921 1.543 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.310 1.184 1.363 0.00 0.00 +0.201 A ATOM 6 N LIG 1 1.801 2.140 0.334 0.00 0.00 -0.193 NA ATOM 7 C LIG 1 2.481 1.665 -0.705 0.00 0.00 +0.222 A ATOM 8 N LIG 1 -1.144 0.303 0.310 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.040 0.669 -1.500 0.00 0.00 -0.197 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.468 1.223 2.087 0.00 0.00 -0.289 N ATOM 11 C LIG 1 -3.372 2.404 1.834 0.00 0.00 +0.132 C ATOM 12 C LIG 1 -3.150 3.496 2.910 0.00 0.00 +0.187 C ATOM 13 O LIG 1 -3.518 3.047 4.232 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 -3.337 1.633 4.410 0.00 0.00 +0.179 C ATOM 15 C LIG 1 -2.204 1.055 3.552 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 -3.371 2.925 0.401 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -2.405 3.835 -0.060 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -2.417 4.281 -1.382 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -3.398 3.833 -2.263 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -4.366 2.933 -1.824 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.352 2.482 -0.502 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 7 22 ATOM 22 N LIG 1 3.700 2.226 -1.006 0.00 0.00 -0.284 N ATOM 23 C LIG 1 4.375 3.190 -0.115 0.00 0.00 +0.131 C ATOM 24 C LIG 1 3.675 4.553 -0.134 0.00 0.00 +0.044 C ATOM 25 C LIG 1 5.768 3.316 -0.769 0.00 0.00 +0.039 C ATOM 26 C LIG 1 6.016 1.936 -1.363 0.00 0.00 +0.022 C ATOM 27 C LIG 1 4.636 1.482 -1.835 0.00 0.00 +0.109 C BRANCH 23 28 ATOM 28 C LIG 1 4.551 2.701 1.339 0.00 0.00 +0.328 C ATOM 29 O LIG 1 4.679 3.412 2.327 0.00 0.00 -0.249 OA BRANCH 28 30 ATOM 30 O LIG 1 4.654 1.360 1.480 0.00 0.00 -0.479 OA ATOM 31 H LIG 1 4.683 1.238 2.450 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 7 22 BRANCH 1 32 ATOM 32 N LIG 1 0.462 -1.003 -2.104 0.00 0.00 -0.324 N ATOM 33 H LIG 1 -0.083 -1.692 -1.608 0.00 0.00 +0.148 HD BRANCH 32 35 ATOM 34 C LIG 1 0.689 -2.320 -4.110 0.00 0.00 +0.028 C ATOM 35 C LIG 1 1.457 -1.580 -3.012 0.00 0.00 +0.072 C BRANCH 35 36 ATOM 36 C LIG 1 2.435 -2.489 -2.255 0.00 0.00 +0.009 C ATOM 37 C LIG 1 1.945 -3.802 -1.579 0.00 0.00 +0.005 C ATOM 38 C LIG 1 3.345 -4.384 -1.871 0.00 0.00 +0.001 C ATOM 39 C LIG 1 3.444 -3.379 -3.038 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 1 32 BRANCH 8 40 ATOM 40 C LIG 1 -2.157 -0.629 -0.148 0.00 0.00 +0.128 C BRANCH 40 41 ATOM 41 C LIG 1 -2.303 -1.886 0.732 0.00 0.00 +0.009 C ATOM 42 C LIG 1 -1.080 -2.806 0.688 0.00 0.00 +0.005 C ATOM 43 C LIG 1 -1.212 -3.966 1.680 0.00 0.00 +0.003 C ATOM 44 C LIG 1 -2.629 -4.562 1.770 0.00 0.00 -0.014 C ATOM 45 C LIG 1 -3.315 -4.186 3.087 0.00 0.00 +0.007 C ATOM 46 C LIG 1 -3.484 -4.170 0.562 0.00 0.00 +0.003 C ATOM 47 C LIG 1 -3.578 -2.659 0.339 0.00 0.00 +0.005 C ENDBRANCH 40 41 ENDBRANCH 8 40 TORSDOF 10