REMARK Name = BDB000062 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.310 -0.509 -0.718 0.00 0.00 -0.313 N ATOM 2 H LIG 1 0.091 0.280 -0.203 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.430 0.058 0.390 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.549 -0.930 -0.178 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.956 -2.274 -0.235 0.00 0.00 +0.051 A ATOM 6 C LIG 1 -3.198 -2.602 0.266 0.00 0.00 +0.071 A ATOM 7 N LIG 1 -3.840 -3.845 0.344 0.00 0.00 -0.295 N ATOM 8 C LIG 1 -5.106 -3.674 0.947 0.00 0.00 +0.330 A ATOM 9 N LIG 1 -5.218 -2.295 1.231 0.00 0.00 -0.295 N ATOM 10 C LIG 1 -6.341 -1.662 1.859 0.00 0.00 +0.154 C ATOM 11 O LIG 1 -5.933 -4.541 1.177 0.00 0.00 -0.246 OA ATOM 12 C LIG 1 -3.293 -5.093 -0.102 0.00 0.00 +0.154 C ATOM 13 C LIG 1 -4.049 -1.646 0.816 0.00 0.00 +0.070 A ATOM 14 C LIG 1 -3.694 -0.318 0.891 0.00 0.00 +0.038 A BRANCH 3 20 ATOM 15 C LIG 1 0.200 3.788 2.443 0.00 0.00 +0.065 C ATOM 16 C LIG 1 -0.779 3.283 1.426 0.00 0.00 +0.039 A ATOM 17 N LIG 1 -1.269 4.175 0.534 0.00 0.00 -0.260 NA ATOM 18 C LIG 1 -2.145 3.716 -0.385 0.00 0.00 +0.111 A ATOM 19 C LIG 1 -2.558 2.398 -0.467 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -2.049 1.479 0.454 0.00 0.00 -0.013 A ATOM 21 C LIG 1 -1.151 1.942 1.423 0.00 0.00 +0.031 A ENDBRANCH 3 20 ENDBRANCH 1 4 BRANCH 1 22 ATOM 22 C LIG 1 0.584 -1.060 -1.645 0.00 0.00 +0.044 A ATOM 23 C LIG 1 1.927 -0.707 -1.621 0.00 0.00 +0.071 A ATOM 24 C LIG 1 2.635 0.217 -0.736 0.00 0.00 +0.256 C ATOM 25 N LIG 1 3.943 0.226 -1.126 0.00 0.00 -0.222 N ATOM 26 C LIG 1 4.151 -0.614 -2.187 0.00 0.00 +0.255 C ATOM 27 O LIG 1 5.176 -0.831 -2.803 0.00 0.00 -0.270 OA ATOM 28 O LIG 1 2.104 0.825 0.175 0.00 0.00 -0.269 OA ATOM 29 C LIG 1 2.859 -1.220 -2.505 0.00 0.00 +0.051 A ATOM 30 C LIG 1 2.514 -2.127 -3.484 0.00 0.00 +0.014 A ATOM 31 C LIG 1 1.170 -2.502 -3.551 0.00 0.00 +0.003 A ATOM 32 C LIG 1 0.221 -1.973 -2.645 0.00 0.00 +0.024 A BRANCH 25 33 ATOM 33 C LIG 1 5.001 1.013 -0.507 0.00 0.00 +0.171 C ATOM 34 C LIG 1 5.122 0.619 0.964 0.00 0.00 +0.240 C ATOM 35 O LIG 1 5.280 -0.546 1.329 0.00 0.00 -0.273 OA ATOM 36 N LIG 1 4.982 1.624 1.887 0.00 0.00 -0.255 N ATOM 37 H LIG 1 5.034 1.324 2.852 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 4.318 2.809 1.708 0.00 0.00 +0.219 C ATOM 39 O LIG 1 3.941 3.466 2.675 0.00 0.00 -0.275 OA ATOM 40 C LIG 1 4.021 3.229 0.289 0.00 0.00 +0.098 C ATOM 41 C LIG 1 4.901 2.521 -0.726 0.00 0.00 +0.041 C ENDBRANCH 25 33 ENDBRANCH 1 22 TORSDOF 4