REMARK Name = BDB058471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.897 -1.196 -0.066 0.00 0.00 +0.154 C ATOM 2 N LIG 1 -3.746 -0.341 -0.049 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -2.423 -0.759 -0.235 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -1.601 0.364 -0.153 0.00 0.00 +0.071 A ATOM 5 C LIG 1 -0.231 0.281 -0.301 0.00 0.00 +0.051 A ATOM 6 C LIG 1 0.338 -0.984 -0.512 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -0.519 -2.113 -0.624 0.00 0.00 +0.025 A ATOM 8 N LIG 1 -2.419 1.478 0.080 0.00 0.00 -0.295 N ATOM 9 C LIG 1 -1.955 2.826 0.230 0.00 0.00 +0.154 C ATOM 10 C LIG 1 -1.909 -2.012 -0.474 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -3.764 1.057 0.150 0.00 0.00 +0.330 A ATOM 12 O LIG 1 -4.745 1.758 0.343 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 13 ATOM 13 N LIG 1 1.723 -1.174 -0.736 0.00 0.00 -0.298 N ATOM 14 H LIG 1 1.974 -2.158 -0.700 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 2.817 -0.364 -0.341 0.00 0.00 +0.140 A ATOM 16 C LIG 1 4.090 -0.601 -0.882 0.00 0.00 +0.092 A ATOM 17 C LIG 1 5.164 0.213 -0.501 0.00 0.00 +0.024 A ATOM 18 C LIG 1 4.953 1.245 0.404 0.00 0.00 +0.021 A ATOM 19 C LIG 1 3.674 1.423 0.890 0.00 0.00 +0.113 A ATOM 20 N LIG 1 2.622 0.651 0.535 0.00 0.00 -0.239 NA BRANCH 16 21 ATOM 21 C LIG 1 4.318 -1.663 -1.813 0.00 0.00 +0.103 C ATOM 22 N LIG 1 4.506 -2.544 -2.545 0.00 0.00 -0.191 NA ENDBRANCH 16 21 ENDBRANCH 13 15 ENDBRANCH 6 13 TORSDOF 3