REMARK Name = BDB056615 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.395 0.150 0.286 0.00 0.00 +0.018 A ATOM 2 C LIG 1 -0.496 0.036 1.353 0.00 0.00 +0.015 A ATOM 3 C LIG 1 0.872 -0.145 1.113 0.00 0.00 +0.046 A ATOM 4 C LIG 1 1.368 -0.216 -0.191 0.00 0.00 +0.121 A ATOM 5 C LIG 1 0.483 -0.100 -1.259 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -0.885 0.083 -1.019 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 -6.217 1.006 -0.400 0.00 0.00 +0.064 A ATOM 8 C LIG 1 -4.945 0.713 0.124 0.00 0.00 +0.102 A ATOM 9 C LIG 1 -4.833 0.440 1.484 0.00 0.00 +0.067 A ATOM 10 N LIG 1 -3.497 0.195 1.676 0.00 0.00 -0.338 N ATOM 11 H LIG 1 -3.070 -0.062 2.552 0.00 0.00 +0.167 HD ATOM 12 C LIG 1 -2.837 0.342 0.478 0.00 0.00 +0.139 A ATOM 13 C LIG 1 -5.918 0.439 2.366 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -7.174 0.734 1.826 0.00 0.00 +0.003 A ATOM 15 N LIG 1 -3.702 0.664 -0.467 0.00 0.00 -0.227 NA ATOM 16 C LIG 1 -7.327 1.015 0.467 0.00 0.00 +0.015 A BRANCH 7 20 ATOM 17 N LIG 1 -7.217 2.329 -2.155 0.00 0.00 -0.325 N ATOM 18 H LIG 1 -7.214 2.599 -3.130 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 -7.435 3.042 -1.474 0.00 0.00 +0.145 HD ATOM 20 C LIG 1 -6.391 1.280 -1.840 0.00 0.00 +0.244 C ATOM 21 O LIG 1 -5.852 0.622 -2.717 0.00 0.00 -0.270 OA ENDBRANCH 7 20 ENDBRANCH 1 12 BRANCH 4 22 ATOM 22 O LIG 1 2.721 -0.392 -0.277 0.00 0.00 -0.486 OA BRANCH 22 23 ATOM 23 C LIG 1 3.276 -0.525 -1.591 0.00 0.00 +0.287 C BRANCH 23 24 ATOM 24 C LIG 1 4.751 -0.725 -1.544 0.00 0.00 +0.120 A ATOM 25 N LIG 1 5.433 -1.145 -2.659 0.00 0.00 -0.131 NA ATOM 26 N LIG 1 6.721 -1.228 -2.351 0.00 0.00 -0.065 NA ATOM 27 N LIG 1 6.850 -0.887 -1.059 0.00 0.00 -0.249 N ATOM 28 C LIG 1 5.651 -0.538 -0.516 0.00 0.00 +0.137 A BRANCH 27 29 ATOM 29 C LIG 1 8.154 -0.831 -0.437 0.00 0.00 +0.178 C BRANCH 29 30 ATOM 30 C LIG 1 8.378 -1.976 0.529 0.00 0.00 +0.236 C ATOM 31 F LIG 1 8.572 -3.131 -0.161 0.00 0.00 -0.247 F ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7