REMARK Name = BDB047111 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.114 -0.378 0.294 0.00 0.00 +0.080 A ATOM 2 C LIG 1 0.716 0.748 1.032 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.630 1.125 1.091 0.00 0.00 +0.048 A ATOM 4 C LIG 1 -1.600 0.385 0.410 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -1.228 -0.742 -0.332 0.00 0.00 +0.068 A ATOM 6 C LIG 1 0.125 -1.119 -0.383 0.00 0.00 +0.044 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -2.199 -1.509 -1.030 0.00 0.00 -0.220 N ATOM 8 N LIG 1 -1.868 -2.610 -1.746 0.00 0.00 -0.060 NA ATOM 9 N LIG 1 -2.969 -3.110 -2.290 0.00 0.00 -0.133 NA ATOM 10 C LIG 1 -4.024 -2.326 -1.918 0.00 0.00 +0.100 A ATOM 11 C LIG 1 -3.555 -1.306 -1.117 0.00 0.00 +0.141 A BRANCH 10 12 ATOM 12 C LIG 1 -5.410 -2.639 -2.384 0.00 0.00 +0.160 C BRANCH 12 13 ATOM 13 N LIG 1 -6.533 -2.218 -1.540 0.00 0.00 -0.338 N ATOM 14 H LIG 1 -6.524 -2.696 -0.643 0.00 0.00 +0.146 HD BRANCH 13 15 ATOM 15 C LIG 1 -6.907 -0.879 -1.432 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -6.641 0.087 -2.410 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -7.088 1.406 -2.268 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -7.837 1.776 -1.155 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -8.151 0.823 -0.193 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -7.701 -0.493 -0.342 0.00 0.00 +0.023 A ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 5 7 BRANCH 1 23 ATOM 21 N LIG 1 3.496 -0.080 0.786 0.00 0.00 -0.281 N ATOM 22 H LIG 1 3.142 0.743 1.269 0.00 0.00 +0.155 HD ATOM 23 C LIG 1 2.535 -0.859 0.172 0.00 0.00 +0.252 C ATOM 24 O LIG 1 2.752 -1.890 -0.457 0.00 0.00 -0.270 OA BRANCH 21 27 ATOM 25 C LIG 1 7.051 0.582 1.557 0.00 0.00 +0.061 A ATOM 26 C LIG 1 5.654 0.692 1.488 0.00 0.00 +0.038 A ATOM 27 C LIG 1 4.891 -0.275 0.818 0.00 0.00 +0.034 A ATOM 28 C LIG 1 5.542 -1.357 0.223 0.00 0.00 +0.023 A ATOM 29 C LIG 1 6.933 -1.474 0.291 0.00 0.00 +0.003 A ATOM 30 C LIG 1 7.687 -0.507 0.953 0.00 0.00 +0.015 A BRANCH 25 31 ATOM 31 C LIG 1 7.897 1.593 2.248 0.00 0.00 +0.339 C ATOM 32 O LIG 1 9.111 1.502 2.350 0.00 0.00 -0.245 OA BRANCH 31 34 ATOM 33 C LIG 1 7.883 3.630 3.392 0.00 0.00 +0.280 C ATOM 34 O LIG 1 7.136 2.609 2.727 0.00 0.00 -0.464 OA ENDBRANCH 31 34 ENDBRANCH 25 31 ENDBRANCH 21 27 ENDBRANCH 1 23 BRANCH 2 35 ATOM 35 O LIG 1 1.634 1.509 1.710 0.00 0.00 -0.506 OA ATOM 36 H LIG 1 1.167 2.217 2.188 0.00 0.00 +0.292 HD ENDBRANCH 2 35 TORSDOF 9