REMARK Name = BDB032200 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.508 -1.309 0.359 0.00 0.00 +0.138 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -1.665 -0.531 0.238 0.00 0.00 +0.215 A ATOM 3 N LIG 1 -1.067 -0.656 1.442 0.00 0.00 -0.221 NA ATOM 4 C LIG 1 0.263 -0.900 1.436 0.00 0.00 +0.119 A ATOM 5 C LIG 1 1.032 -1.025 0.284 0.00 0.00 -0.012 A ATOM 6 C LIG 1 0.374 -0.892 -0.943 0.00 0.00 +0.012 A ATOM 7 C LIG 1 -0.994 -0.640 -0.968 0.00 0.00 +0.067 A BRANCH 2 8 ATOM 8 O LIG 1 -3.020 -0.281 0.160 0.00 0.00 -0.476 OA BRANCH 8 9 ATOM 9 C LIG 1 -3.655 -0.180 1.435 0.00 0.00 +0.234 C BRANCH 9 14 ATOM 10 C LIG 1 -8.940 0.821 -0.650 0.00 0.00 +0.104 C ATOM 11 N LIG 1 -7.521 0.556 -0.418 0.00 0.00 -0.305 NA ATOM 12 C LIG 1 -7.343 -0.719 0.288 0.00 0.00 +0.084 C ATOM 13 C LIG 1 -5.860 -1.034 0.497 0.00 0.00 +0.022 C ATOM 14 C LIG 1 -5.154 0.099 1.256 0.00 0.00 +0.029 C ATOM 15 C LIG 1 -5.406 1.427 0.528 0.00 0.00 +0.022 C ATOM 16 C LIG 1 -6.903 1.666 0.319 0.00 0.00 +0.084 C ENDBRANCH 9 14 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 17 ATOM 17 N LIG 1 3.248 -0.229 -0.282 0.00 0.00 -0.340 N ATOM 18 H LIG 1 2.856 0.687 -0.077 0.00 0.00 +0.146 HD BRANCH 17 19 ATOM 19 C LIG 1 4.645 -0.222 -0.243 0.00 0.00 +0.028 A ATOM 20 C LIG 1 5.316 0.970 -0.557 0.00 0.00 +0.031 A ATOM 21 C LIG 1 6.722 1.052 -0.605 0.00 0.00 -0.011 A ATOM 22 C LIG 1 7.499 -0.097 -0.361 0.00 0.00 +0.022 A ATOM 23 C LIG 1 8.908 0.043 -0.420 0.00 0.00 +0.124 A ATOM 24 N LIG 1 9.520 1.209 -0.696 0.00 0.00 -0.240 NA ATOM 25 C LIG 1 8.744 2.284 -0.928 0.00 0.00 +0.113 A ATOM 26 C LIG 1 6.821 -1.305 -0.088 0.00 0.00 +0.014 A ATOM 27 C LIG 1 7.363 2.259 -0.895 0.00 0.00 +0.028 A ATOM 28 C LIG 1 5.421 -1.364 -0.045 0.00 0.00 +0.023 A BRANCH 23 29 ATOM 29 N LIG 1 9.759 -1.052 -0.195 0.00 0.00 -0.343 N ATOM 30 H LIG 1 9.561 -1.772 -0.881 0.00 0.00 +0.144 HD ATOM 31 H LIG 1 9.584 -1.424 0.732 0.00 0.00 +0.144 HD ENDBRANCH 23 29 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 7