REMARK Name = BDB012481 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 1.156 2.066 -0.851 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 0.831 2.438 0.270 0.00 0.00 +0.250 C ATOM 3 C LIG 1 -0.550 2.895 0.491 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -1.389 2.032 1.200 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -2.768 2.259 1.241 0.00 0.00 -0.025 A ATOM 6 C LIG 1 -3.281 3.405 0.620 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -2.429 4.289 -0.056 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.666 1.188 1.820 0.00 0.00 +0.182 C ATOM 9 N LIG 1 -3.970 0.151 0.833 0.00 0.00 -0.223 N ATOM 10 N LIG 1 -2.906 -0.628 0.394 0.00 0.00 -0.153 NA ATOM 11 C LIG 1 -3.085 -1.483 -0.583 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -4.448 -1.695 -1.151 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -5.458 -0.936 -0.732 0.00 0.00 +0.075 A ATOM 14 N LIG 1 -1.996 -2.203 -1.096 0.00 0.00 -0.313 N ATOM 15 C LIG 1 -0.653 -2.075 -0.505 0.00 0.00 +0.112 C ATOM 16 C LIG 1 0.246 -1.234 -1.430 0.00 0.00 +0.037 C ATOM 17 C LIG 1 0.283 -1.834 -2.858 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -0.646 -3.034 -3.023 0.00 0.00 +0.019 C ATOM 19 C LIG 1 1.688 -1.019 -0.897 0.00 0.00 +0.139 C ATOM 20 C LIG 1 1.738 -0.560 0.570 0.00 0.00 +0.156 C ATOM 21 N LIG 1 2.838 0.299 0.968 0.00 0.00 -0.309 N ATOM 22 C LIG 1 2.718 1.582 1.478 0.00 0.00 +0.203 A ATOM 23 N LIG 1 3.775 1.910 2.185 0.00 0.00 -0.214 NA ATOM 24 C LIG 1 4.670 0.885 2.005 0.00 0.00 +0.091 A ATOM 25 C LIG 1 5.979 0.753 2.490 0.00 0.00 +0.030 A ATOM 26 C LIG 1 6.697 -0.411 2.191 0.00 0.00 +0.002 A ATOM 27 C LIG 1 6.119 -1.427 1.428 0.00 0.00 +0.002 A ATOM 28 C LIG 1 4.811 -1.317 0.942 0.00 0.00 +0.028 A ATOM 29 C LIG 1 4.115 -0.140 1.244 0.00 0.00 +0.070 A ATOM 30 C LIG 1 -2.034 -2.745 -2.463 0.00 0.00 +0.106 C ATOM 31 C LIG 1 -5.241 0.100 0.288 0.00 0.00 +0.268 A ATOM 32 O LIG 1 -6.180 0.829 0.600 0.00 0.00 -0.266 OA ATOM 33 C LIG 1 -1.061 4.022 -0.147 0.00 0.00 +0.013 A ATOM 34 N LIG 1 1.592 2.367 1.412 0.00 0.00 -0.252 N ATOM 35 H LIG 1 1.550 3.134 2.071 0.00 0.00 +0.158 HD ENDROOT BRANCH 19 36 ATOM 36 O LIG 1 2.355 -0.107 -1.773 0.00 0.00 -0.390 OA ATOM 37 H LIG 1 1.962 0.786 -1.632 0.00 0.00 +0.210 HD ENDBRANCH 19 36 TORSDOF 1