REMARK Name = BDB025791 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.800 -0.635 0.617 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.112 0.513 0.155 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.279 0.506 0.022 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.032 -0.637 0.353 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.329 -1.763 0.813 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.989 -2.883 1.149 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.060 -1.771 0.943 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 2.502 -0.637 0.218 0.00 0.00 -0.015 A ATOM 9 C LIG 1 3.279 0.421 0.704 0.00 0.00 +0.010 A ATOM 10 C LIG 1 4.676 0.423 0.570 0.00 0.00 +0.024 A ATOM 11 C LIG 1 5.368 -0.623 -0.056 0.00 0.00 +0.030 A ATOM 12 C LIG 1 4.580 -1.677 -0.538 0.00 0.00 +0.024 A ATOM 13 C LIG 1 3.182 -1.688 -0.406 0.00 0.00 +0.010 A BRANCH 11 14 ATOM 14 N LIG 1 6.744 -0.618 -0.187 0.00 0.00 -0.326 N ATOM 15 C LIG 1 7.435 -1.444 -1.190 0.00 0.00 +0.133 C ATOM 16 C LIG 1 8.758 -0.777 -1.604 0.00 0.00 +0.178 C ATOM 17 O LIG 1 9.671 -0.562 -0.517 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 9.013 -0.360 0.742 0.00 0.00 +0.178 C ATOM 19 C LIG 1 7.606 0.252 0.627 0.00 0.00 +0.133 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 22 ATOM 20 C LIG 1 -5.269 -1.643 0.050 0.00 0.00 +0.075 C ATOM 21 C LIG 1 -3.862 -1.233 -0.472 0.00 0.00 +0.124 C ATOM 22 N LIG 1 -3.206 -0.580 0.685 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -3.851 -1.072 1.916 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -4.853 -2.127 1.449 0.00 0.00 +0.039 C BRANCH 20 26 ATOM 25 C LIG 1 -7.588 -1.070 0.552 0.00 0.00 +0.104 C ATOM 26 N LIG 1 -6.285 -0.553 0.111 0.00 0.00 -0.304 NA ATOM 27 C LIG 1 -6.462 0.103 -1.189 0.00 0.00 +0.104 C ENDBRANCH 20 26 ENDBRANCH 1 22 BRANCH 2 28 ATOM 28 N LIG 1 -1.936 1.622 -0.123 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.911 1.421 0.081 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.594 2.869 -0.588 0.00 0.00 +0.251 C ATOM 31 O LIG 1 -0.463 3.233 -0.888 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.724 3.782 -0.719 0.00 0.00 +0.074 A ATOM 33 C LIG 1 -4.053 3.610 -0.373 0.00 0.00 +0.118 A ATOM 34 N LIG 1 -4.691 4.775 -0.693 0.00 0.00 -0.284 N ATOM 35 H LIG 1 -5.671 5.010 -0.570 0.00 0.00 +0.188 HD ATOM 36 N LIG 1 -3.881 5.696 -1.233 0.00 0.00 -0.182 NA ATOM 37 C LIG 1 -2.687 5.097 -1.242 0.00 0.00 +0.147 A ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6