REMARK Name = BDB021405 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.857 -0.675 -1.031 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.911 -0.872 -2.044 0.00 0.00 +0.018 A ATOM 3 C LIG 1 0.558 -1.091 -1.719 0.00 0.00 -0.027 A ATOM 4 C LIG 1 -0.490 -1.403 -2.785 0.00 0.00 +0.007 C ATOM 5 C LIG 1 -1.892 -1.010 -2.259 0.00 0.00 +0.119 C ATOM 6 N LIG 1 -2.173 -1.503 -0.919 0.00 0.00 -0.294 N ATOM 7 C LIG 1 -1.210 -1.361 0.077 0.00 0.00 +0.247 C ATOM 8 O LIG 1 -1.469 -1.450 1.278 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.451 -2.914 -3.094 0.00 0.00 +0.017 C ATOM 10 C LIG 1 -0.259 -0.619 -4.096 0.00 0.00 +0.017 C ATOM 11 C LIG 1 0.192 -1.099 -0.354 0.00 0.00 +0.041 A ATOM 12 C LIG 1 1.156 -0.907 0.650 0.00 0.00 +0.014 A ATOM 13 C LIG 1 2.491 -0.708 0.315 0.00 0.00 +0.014 A ENDROOT BRANCH 1 20 ATOM 14 C LIG 1 5.790 1.585 0.517 0.00 0.00 +0.121 C ATOM 15 C LIG 1 6.785 1.281 -0.624 0.00 0.00 +0.054 C ATOM 16 C LIG 1 6.093 1.081 -1.985 0.00 0.00 +0.079 C ATOM 17 N LIG 1 4.688 0.769 -1.765 0.00 0.00 -0.291 N ATOM 18 C LIG 1 4.066 2.021 -1.358 0.00 0.00 +0.079 C ATOM 19 C LIG 1 4.650 3.001 -2.377 0.00 0.00 +0.024 C ATOM 20 C LIG 1 4.281 -0.494 -1.378 0.00 0.00 +0.247 C ATOM 21 O LIG 1 5.036 -1.449 -1.225 0.00 0.00 -0.270 OA ATOM 22 C LIG 1 6.022 2.413 -2.746 0.00 0.00 +0.024 C ATOM 23 C LIG 1 4.537 2.372 0.067 0.00 0.00 +0.054 C BRANCH 14 25 ATOM 24 C LIG 1 7.367 1.541 2.324 0.00 0.00 +0.194 C ATOM 25 O LIG 1 6.408 2.308 1.595 0.00 0.00 -0.380 OA ENDBRANCH 14 25 ENDBRANCH 1 20 BRANCH 6 26 ATOM 26 C LIG 1 -3.577 -1.667 -0.496 0.00 0.00 +0.141 C BRANCH 26 27 ATOM 27 C LIG 1 -4.289 -0.308 -0.288 0.00 0.00 +0.149 C BRANCH 27 28 ATOM 28 C LIG 1 -5.201 -0.222 0.963 0.00 0.00 +0.088 C ATOM 29 N LIG 1 -6.252 -1.265 0.964 0.00 0.00 -0.307 NA ATOM 30 H LIG 1 -6.718 -1.255 0.053 0.00 0.00 +0.123 HD ATOM 31 C LIG 1 -7.244 -0.976 2.009 0.00 0.00 +0.117 C ATOM 32 C LIG 1 -6.661 -0.587 3.355 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -5.314 -0.209 3.481 0.00 0.00 -0.041 A ATOM 34 C LIG 1 -4.806 0.189 4.729 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -5.633 0.212 5.849 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.967 -0.162 5.733 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.481 -0.553 4.492 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -4.402 -0.297 2.279 0.00 0.00 +0.056 C ENDBRANCH 27 28 BRANCH 27 39 ATOM 39 O LIG 1 -5.109 -0.018 -1.456 0.00 0.00 -0.389 OA ATOM 40 H LIG 1 -4.545 -0.108 -2.247 0.00 0.00 +0.210 HD ENDBRANCH 27 39 ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 6