REMARK Name = BDB049817 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.131 -0.842 0.213 0.00 0.00 -0.304 N ATOM 2 H LIG 1 -1.657 -1.506 0.768 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 -1.919 -0.012 -0.579 0.00 0.00 +0.280 C ATOM 4 O LIG 1 -1.497 0.483 -1.618 0.00 0.00 -0.267 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -3.255 0.198 -0.051 0.00 0.00 +0.195 A ATOM 6 N LIG 1 -3.557 0.409 1.274 0.00 0.00 -0.334 N ATOM 7 H LIG 1 -2.879 0.470 2.019 0.00 0.00 +0.168 HD ATOM 8 C LIG 1 -4.910 0.593 1.392 0.00 0.00 +0.067 A ATOM 9 C LIG 1 -5.396 0.450 0.093 0.00 0.00 +0.102 A ATOM 10 C LIG 1 -6.780 0.575 -0.118 0.00 0.00 +0.064 A ATOM 11 C LIG 1 -7.623 0.858 0.972 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -7.096 1.003 2.256 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -5.723 0.869 2.495 0.00 0.00 +0.028 A ATOM 14 N LIG 1 -4.353 0.234 -0.781 0.00 0.00 -0.223 NA BRANCH 10 15 ATOM 15 C LIG 1 -7.351 0.387 -1.459 0.00 0.00 +0.244 C ATOM 16 O LIG 1 -7.181 -0.634 -2.109 0.00 0.00 -0.270 OA ATOM 17 N LIG 1 -8.121 1.419 -1.925 0.00 0.00 -0.325 N ATOM 18 H LIG 1 -8.380 1.356 -2.901 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 -8.040 2.343 -1.523 0.00 0.00 +0.145 HD ENDBRANCH 10 15 ENDBRANCH 3 5 BRANCH 1 23 ATOM 20 C LIG 1 3.584 0.174 -0.779 0.00 0.00 +0.403 C ATOM 21 N LIG 1 2.559 -0.436 -0.070 0.00 0.00 -0.266 N ATOM 22 C LIG 1 1.176 -0.088 -0.384 0.00 0.00 +0.133 C ATOM 23 C LIG 1 0.189 -1.281 -0.261 0.00 0.00 +0.091 C ATOM 24 C LIG 1 0.730 -2.388 0.663 0.00 0.00 +0.025 C ATOM 25 C LIG 1 1.589 -1.799 1.775 0.00 0.00 +0.021 C ATOM 26 C LIG 1 2.828 -1.137 1.181 0.00 0.00 +0.111 C ATOM 27 O LIG 1 3.406 0.907 -1.742 0.00 0.00 -0.226 OA BRANCH 20 28 ATOM 28 O LIG 1 4.805 -0.142 -0.272 0.00 0.00 -0.445 OA BRANCH 28 30 ATOM 29 C LIG 1 6.192 -0.105 -2.309 0.00 0.00 +0.055 C ATOM 30 C LIG 1 6.020 0.382 -0.866 0.00 0.00 +0.107 C ATOM 31 C LIG 1 7.153 -0.209 -0.013 0.00 0.00 +0.055 C ATOM 32 C LIG 1 6.079 1.910 -0.764 0.00 0.00 +0.055 C ENDBRANCH 28 30 ENDBRANCH 20 28 ENDBRANCH 1 23 TORSDOF 5