REMARK Name = BDB012466 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.522 -2.273 1.723 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -0.153 -2.364 0.556 0.00 0.00 +0.250 C ATOM 3 C LIG 1 1.284 -2.600 0.272 0.00 0.00 +0.037 A ATOM 4 C LIG 1 1.930 -1.846 -0.714 0.00 0.00 +0.018 A ATOM 5 C LIG 1 3.328 -1.888 -0.845 0.00 0.00 -0.025 A ATOM 6 C LIG 1 4.059 -2.756 -0.022 0.00 0.00 +0.005 A ATOM 7 C LIG 1 3.408 -3.545 0.932 0.00 0.00 +0.001 A ATOM 8 C LIG 1 4.030 -0.898 -1.756 0.00 0.00 +0.182 C ATOM 9 N LIG 1 4.132 0.420 -1.124 0.00 0.00 -0.225 N ATOM 10 N LIG 1 2.940 1.085 -0.933 0.00 0.00 -0.168 NA ATOM 11 C LIG 1 2.918 2.157 -0.201 0.00 0.00 +0.092 A ATOM 12 C LIG 1 4.137 2.757 0.382 0.00 0.00 +0.035 A ATOM 13 C LIG 1 5.286 2.106 0.181 0.00 0.00 +0.074 A ATOM 14 C LIG 1 1.583 2.772 0.109 0.00 0.00 +0.002 A ATOM 15 C LIG 1 0.447 1.988 -0.145 0.00 0.00 +0.016 A ATOM 16 C LIG 1 -0.856 2.421 0.164 0.00 0.00 -0.017 A ATOM 17 C LIG 1 -1.014 3.689 0.726 0.00 0.00 +0.006 A ATOM 18 C LIG 1 0.106 4.494 0.965 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -2.032 1.507 -0.123 0.00 0.00 +0.164 C ATOM 20 C LIG 1 -2.028 0.281 0.823 0.00 0.00 +0.161 C ATOM 21 N LIG 1 -2.783 -0.846 0.301 0.00 0.00 -0.309 N ATOM 22 C LIG 1 -2.280 -1.890 -0.453 0.00 0.00 +0.203 A ATOM 23 N LIG 1 -3.226 -2.431 -1.188 0.00 0.00 -0.214 NA ATOM 24 C LIG 1 -4.398 -1.864 -0.757 0.00 0.00 +0.091 A ATOM 25 C LIG 1 -5.716 -2.132 -1.153 0.00 0.00 +0.030 A ATOM 26 C LIG 1 -6.757 -1.394 -0.578 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -6.491 -0.403 0.369 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -5.182 -0.115 0.771 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -4.158 -0.873 0.191 0.00 0.00 +0.070 A ATOM 30 C LIG 1 1.398 4.041 0.661 0.00 0.00 +0.010 A ATOM 31 C LIG 1 5.332 0.834 -0.571 0.00 0.00 +0.268 A ATOM 32 O LIG 1 6.399 0.233 -0.658 0.00 0.00 -0.266 OA ATOM 33 C LIG 1 2.024 -3.450 1.097 0.00 0.00 +0.013 A ATOM 34 N LIG 1 -0.957 -2.250 -0.559 0.00 0.00 -0.252 N ATOM 35 H LIG 1 -0.739 -2.845 -1.349 0.00 0.00 +0.158 HD ENDROOT BRANCH 19 36 ATOM 36 O LIG 1 -1.912 1.139 -1.501 0.00 0.00 -0.385 OA ATOM 37 H LIG 1 -2.730 0.678 -1.761 0.00 0.00 +0.210 HD ENDBRANCH 19 36 TORSDOF 1