REMARK Name = BDB026706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.732 -0.962 0.573 0.00 0.00 +0.061 A ATOM 2 C LIG 1 3.557 0.419 0.395 0.00 0.00 +0.045 A ATOM 3 C LIG 1 2.261 0.925 0.213 0.00 0.00 +0.090 A ATOM 4 N LIG 1 1.871 2.219 0.036 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 0.553 2.200 -0.029 0.00 0.00 +0.119 A ATOM 6 N LIG 1 0.069 0.888 -0.051 0.00 0.00 -0.280 N ATOM 7 C LIG 1 1.168 0.066 0.208 0.00 0.00 +0.075 A ATOM 8 C LIG 1 1.325 -1.320 0.372 0.00 0.00 +0.029 A ATOM 9 C LIG 1 2.623 -1.816 0.561 0.00 0.00 +0.017 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.265 0.423 -0.283 0.00 0.00 +0.140 A ATOM 11 N LIG 1 -1.635 -0.751 0.295 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -2.890 -1.208 0.070 0.00 0.00 +0.065 A ATOM 13 C LIG 1 -3.341 -2.431 0.818 0.00 0.00 +0.066 C ATOM 14 C LIG 1 -4.380 -3.206 0.024 0.00 0.00 +0.102 C ATOM 15 C LIG 1 -5.474 -2.307 -0.510 0.00 0.00 +0.218 C ATOM 16 N LIG 1 -5.089 -1.059 -0.930 0.00 0.00 -0.284 N ATOM 17 H LIG 1 -5.798 -0.516 -1.406 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -6.631 -2.692 -0.657 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -3.807 -0.541 -0.735 0.00 0.00 +0.055 A ATOM 20 C LIG 1 -3.423 0.650 -1.331 0.00 0.00 +0.029 A ATOM 21 C LIG 1 -2.131 1.135 -1.112 0.00 0.00 +0.048 A ENDBRANCH 6 10 BRANCH 5 22 ATOM 22 C LIG 1 -0.275 3.457 0.062 0.00 0.00 +0.049 C ATOM 23 C LIG 1 -0.076 4.322 -1.184 0.00 0.00 +0.015 C ATOM 24 C LIG 1 0.108 4.251 1.317 0.00 0.00 +0.015 C ENDBRANCH 5 22 BRANCH 1 25 ATOM 25 C LIG 1 5.120 -1.462 0.768 0.00 0.00 +0.339 C ATOM 26 O LIG 1 6.105 -0.741 0.773 0.00 0.00 -0.245 OA BRANCH 25 28 ATOM 27 C LIG 1 6.428 -3.363 1.131 0.00 0.00 +0.280 C ATOM 28 O LIG 1 5.126 -2.809 0.935 0.00 0.00 -0.464 OA ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 4