REMARK Name = BDB051901 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.072 1.354 -0.494 0.00 0.00 +0.035 A ATOM 2 C LIG 1 1.136 0.562 -0.035 0.00 0.00 +0.032 A ATOM 3 C LIG 1 2.468 1.010 -0.083 0.00 0.00 -0.015 A ATOM 4 C LIG 1 2.717 2.286 -0.604 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.666 3.092 -1.059 0.00 0.00 +0.061 A ATOM 6 C LIG 1 0.346 2.625 -1.001 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 3.569 0.161 0.398 0.00 0.00 -0.017 A ATOM 8 C LIG 1 4.625 -0.194 -0.463 0.00 0.00 +0.020 A ATOM 9 C LIG 1 5.670 -1.010 0.008 0.00 0.00 +0.020 A ATOM 10 C LIG 1 6.851 -1.562 -0.536 0.00 0.00 +0.143 A ATOM 11 N LIG 1 7.532 -2.297 0.346 0.00 0.00 -0.179 NA ATOM 12 N LIG 1 6.790 -2.208 1.468 0.00 0.00 -0.267 N ATOM 13 C LIG 1 7.228 -2.888 2.663 0.00 0.00 +0.173 C ATOM 14 C LIG 1 5.649 -1.454 1.326 0.00 0.00 +0.069 A ATOM 15 C LIG 1 4.619 -1.122 2.212 0.00 0.00 +0.028 A ATOM 16 C LIG 1 3.586 -0.310 1.722 0.00 0.00 +0.010 A ENDBRANCH 3 7 BRANCH 1 18 ATOM 17 C LIG 1 -2.415 1.339 -0.852 0.00 0.00 +0.250 C ATOM 18 N LIG 1 -1.222 0.798 -0.400 0.00 0.00 -0.281 N ATOM 19 H LIG 1 -1.272 -0.135 -0.019 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -2.523 2.393 -1.466 0.00 0.00 -0.270 OA BRANCH 17 29 ATOM 21 C LIG 1 -4.506 -2.522 2.297 0.00 0.00 +0.113 C ATOM 22 C LIG 1 -5.479 -2.019 1.273 0.00 0.00 +0.229 C ATOM 23 N LIG 1 -4.992 -1.005 0.412 0.00 0.00 -0.287 N ATOM 24 C LIG 1 -5.708 -0.373 -0.609 0.00 0.00 +0.057 A ATOM 25 C LIG 1 -4.866 0.574 -1.206 0.00 0.00 +0.012 A ATOM 26 C LIG 1 -5.372 1.357 -2.269 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -6.685 1.182 -2.711 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -7.504 0.237 -2.110 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -3.595 0.513 -0.554 0.00 0.00 +0.063 A ATOM 30 C LIG 1 -7.034 -0.550 -1.056 0.00 0.00 +0.027 A ATOM 31 C LIG 1 -3.716 -0.455 0.430 0.00 0.00 +0.108 A ATOM 32 O LIG 1 -6.624 -2.440 1.164 0.00 0.00 -0.273 OA ENDBRANCH 17 29 ENDBRANCH 1 18 BRANCH 5 33 ATOM 33 C LIG 1 2.005 4.435 -1.592 0.00 0.00 +0.337 C ATOM 34 O LIG 1 3.128 4.890 -1.704 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 0.924 5.143 -1.956 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 1.287 5.991 -2.286 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 5 33 TORSDOF 5