REMARK Name = BDB022441 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.217 1.264 0.266 0.00 0.00 -0.035 A ATOM 2 C LIG 1 -1.109 0.431 0.024 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.115 0.773 -0.911 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -0.253 1.983 -1.608 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -1.348 2.818 -1.385 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.323 2.460 -0.455 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 1.034 -0.110 -1.151 0.00 0.00 +0.000 A ATOM 8 C LIG 1 0.879 -1.458 -1.463 0.00 0.00 +0.121 A ATOM 9 N LIG 1 1.898 -2.325 -1.687 0.00 0.00 -0.240 NA ATOM 10 C LIG 1 3.157 -1.854 -1.589 0.00 0.00 +0.125 A ATOM 11 C LIG 1 3.420 -0.521 -1.317 0.00 0.00 +0.044 A ATOM 12 C LIG 1 2.351 0.351 -1.089 0.00 0.00 +0.013 A BRANCH 10 13 ATOM 13 N LIG 1 4.128 -2.817 -1.853 0.00 0.00 -0.267 N ATOM 14 H LIG 1 3.739 -3.644 -2.286 0.00 0.00 +0.157 HD ATOM 15 C LIG 1 5.480 -2.851 -1.730 0.00 0.00 +0.242 C ATOM 16 O LIG 1 6.135 -3.712 -2.316 0.00 0.00 -0.270 OA BRANCH 15 17 ATOM 17 C LIG 1 6.192 -1.897 -0.854 0.00 0.00 +0.064 C ATOM 18 C LIG 1 5.888 -1.788 0.451 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 6.599 -0.943 1.471 0.00 0.00 +0.112 C BRANCH 19 20 ATOM 20 N LIG 1 7.545 0.029 0.924 0.00 0.00 -0.299 NA ATOM 21 C LIG 1 6.900 1.236 0.400 0.00 0.00 +0.085 C ATOM 22 C LIG 1 8.053 2.223 0.283 0.00 0.00 +0.017 C ATOM 23 C LIG 1 9.089 1.747 1.294 0.00 0.00 +0.017 C ATOM 24 C LIG 1 8.467 0.524 1.950 0.00 0.00 +0.085 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 26 ATOM 25 C LIG 1 -3.431 1.914 2.391 0.00 0.00 +0.022 C ATOM 26 C LIG 1 -3.262 0.857 1.296 0.00 0.00 +0.102 C BRANCH 26 27 ATOM 27 C LIG 1 -4.632 0.518 0.686 0.00 0.00 +0.225 C ATOM 28 N LIG 1 -5.367 -0.324 1.496 0.00 0.00 -0.268 N ATOM 29 H LIG 1 -5.001 -0.663 2.374 0.00 0.00 +0.156 HD ATOM 30 O LIG 1 -5.020 0.980 -0.383 0.00 0.00 -0.275 OA BRANCH 28 31 ATOM 31 C LIG 1 -6.628 -0.794 1.228 0.00 0.00 +0.147 A ATOM 32 N LIG 1 -7.205 -1.605 2.121 0.00 0.00 -0.158 NA ATOM 33 N LIG 1 -8.402 -1.886 1.578 0.00 0.00 -0.280 N ATOM 34 H LIG 1 -9.032 -2.499 2.084 0.00 0.00 +0.189 HD ATOM 35 C LIG 1 -8.608 -1.282 0.374 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -7.467 -0.561 0.116 0.00 0.00 +0.068 A BRANCH 35 37 ATOM 37 C LIG 1 -9.885 -1.412 -0.493 0.00 0.00 +0.037 C ATOM 38 C LIG 1 -9.763 -1.452 -1.993 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -10.347 -0.243 -1.320 0.00 0.00 +0.010 C ENDBRANCH 35 37 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 9