REMARK Name = BDB029587 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.815 -2.066 -2.033 0.00 0.00 +0.017 C ATOM 2 C LIG 1 0.835 -0.843 -1.090 0.00 0.00 +0.007 C ATOM 3 C LIG 1 2.217 -0.558 -0.509 0.00 0.00 -0.028 A ATOM 4 C LIG 1 2.334 -0.008 0.780 0.00 0.00 +0.042 A ATOM 5 C LIG 1 3.597 0.289 1.320 0.00 0.00 +0.036 A ATOM 6 C LIG 1 4.770 0.055 0.596 0.00 0.00 +0.032 A ATOM 7 C LIG 1 4.649 -0.480 -0.688 0.00 0.00 +0.023 A ATOM 8 C LIG 1 1.131 0.301 1.605 0.00 0.00 +0.247 C ATOM 9 O LIG 1 1.247 0.948 2.642 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 -0.091 -0.165 1.140 0.00 0.00 -0.294 N ATOM 11 C LIG 1 3.395 -0.775 -1.238 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -0.145 -1.146 0.066 0.00 0.00 +0.119 C ATOM 13 C LIG 1 0.365 0.393 -1.882 0.00 0.00 +0.017 C ENDROOT BRANCH 6 14 ATOM 14 N LIG 1 6.011 0.332 1.195 0.00 0.00 -0.313 N ATOM 15 H LIG 1 5.959 0.999 1.959 0.00 0.00 +0.152 HD BRANCH 14 16 ATOM 16 C LIG 1 7.274 -0.263 1.042 0.00 0.00 +0.053 A ATOM 17 C LIG 1 7.490 -1.523 0.498 0.00 0.00 +0.158 A ATOM 18 N LIG 1 8.718 -2.063 0.312 0.00 0.00 -0.156 NA ATOM 19 N LIG 1 9.815 -1.350 0.663 0.00 0.00 -0.158 NA ATOM 20 C LIG 1 9.656 -0.119 1.188 0.00 0.00 +0.137 A ATOM 21 C LIG 1 8.415 0.456 1.389 0.00 0.00 +0.046 A ENDBRANCH 14 16 ENDBRANCH 6 14 BRANCH 10 22 ATOM 22 C LIG 1 -1.261 -0.040 2.007 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -1.856 1.379 2.058 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -2.880 1.451 3.063 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -2.436 1.306 3.918 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -2.411 1.875 0.700 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -3.282 0.944 -0.052 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -4.538 0.669 0.680 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -5.557 -0.111 -0.130 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -5.480 -0.171 -1.532 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -6.448 -0.881 -2.255 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -7.505 -1.504 -1.592 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.598 -1.429 -0.204 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.322 0.475 -2.246 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -6.631 -0.734 0.524 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -3.605 1.512 -1.372 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 10 22 TORSDOF 7