REMARK Name = BDB007471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.770 0.141 0.151 0.00 0.00 -0.201 N ATOM 2 C LIG 1 0.434 -0.544 -0.018 0.00 0.00 +0.281 A ATOM 3 O LIG 1 0.660 -1.730 -0.192 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 1.516 0.500 0.048 0.00 0.00 +0.067 A ATOM 5 C LIG 1 0.850 1.647 0.257 0.00 0.00 +0.116 A ATOM 6 N LIG 1 -0.520 1.520 0.288 0.00 0.00 -0.295 N ATOM 7 H LIG 1 -0.915 1.906 1.149 0.00 0.00 +0.187 HD ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -5.670 0.849 0.080 0.00 0.00 +0.044 C ATOM 9 C LIG 1 -4.476 -0.057 0.109 0.00 0.00 -0.046 A ATOM 10 C LIG 1 -3.179 0.470 0.127 0.00 0.00 +0.051 A ATOM 11 C LIG 1 -2.076 -0.388 0.113 0.00 0.00 +0.156 A ATOM 12 N LIG 1 -2.236 -1.727 0.073 0.00 0.00 -0.236 NA ATOM 13 C LIG 1 -3.491 -2.223 0.038 0.00 0.00 +0.113 A ATOM 14 C LIG 1 -4.630 -1.439 0.052 0.00 0.00 +0.023 A ENDBRANCH 1 11 BRANCH 4 15 ATOM 15 C LIG 1 2.960 0.293 -0.026 0.00 0.00 +0.007 A ATOM 16 C LIG 1 3.821 1.296 -0.472 0.00 0.00 +0.121 A ATOM 17 N LIG 1 5.169 1.179 -0.565 0.00 0.00 -0.244 NA ATOM 18 C LIG 1 5.704 -0.013 -0.209 0.00 0.00 +0.140 A ATOM 19 C LIG 1 4.942 -1.082 0.239 0.00 0.00 +0.039 A ATOM 20 C LIG 1 3.557 -0.921 0.329 0.00 0.00 +0.013 A BRANCH 18 21 ATOM 21 C LIG 1 7.133 -0.123 -0.316 0.00 0.00 +0.119 C ATOM 22 N LIG 1 8.287 -0.248 -0.384 0.00 0.00 -0.189 NA ENDBRANCH 18 21 ENDBRANCH 4 15 TORSDOF 3