REMARK Name = BDB049907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.141 -1.086 0.272 0.00 0.00 +0.125 A ATOM 2 N LIG 1 0.774 -0.174 -0.195 0.00 0.00 -0.340 N ATOM 3 H LIG 1 0.580 0.813 -0.307 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 1.963 -0.816 -0.417 0.00 0.00 +0.078 A ATOM 5 C LIG 1 1.712 -2.128 -0.030 0.00 0.00 +0.090 A ATOM 6 C LIG 1 2.748 -3.073 -0.081 0.00 0.00 +0.030 A ATOM 7 C LIG 1 4.019 -2.664 -0.505 0.00 0.00 +0.003 A ATOM 8 C LIG 1 4.250 -1.342 -0.889 0.00 0.00 +0.015 A ATOM 9 C LIG 1 3.217 -0.391 -0.873 0.00 0.00 +0.062 A ATOM 10 N LIG 1 0.406 -2.283 0.366 0.00 0.00 -0.231 NA ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 3.487 0.995 -1.307 0.00 0.00 +0.244 C ATOM 12 O LIG 1 4.588 1.511 -1.174 0.00 0.00 -0.270 OA ATOM 13 N LIG 1 2.460 1.658 -1.924 0.00 0.00 -0.325 N ATOM 14 H LIG 1 1.751 1.123 -2.409 0.00 0.00 +0.145 HD ATOM 15 H LIG 1 2.736 2.528 -2.364 0.00 0.00 +0.145 HD ENDBRANCH 9 11 BRANCH 1 16 ATOM 16 C LIG 1 -1.562 -0.690 0.581 0.00 0.00 +0.117 C ATOM 17 C LIG 1 -2.066 -1.439 1.820 0.00 0.00 +0.032 C BRANCH 16 18 ATOM 18 N LIG 1 -1.630 0.774 0.788 0.00 0.00 -0.305 NA ATOM 19 H LIG 1 -1.394 0.957 1.765 0.00 0.00 +0.123 HD BRANCH 18 21 ATOM 20 C LIG 1 -3.066 2.702 1.188 0.00 0.00 +0.023 C ATOM 21 C LIG 1 -2.952 1.344 0.491 0.00 0.00 +0.048 C ATOM 22 C LIG 1 -3.138 1.527 -1.017 0.00 0.00 +0.023 C ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 1 16 TORSDOF 4