REMARK Name = BDB032768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.895 -0.085 2.268 0.00 0.00 +0.269 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.253 0.398 1.824 0.00 0.00 -0.010 A ATOM 3 C LIG 1 -3.011 -0.365 0.925 0.00 0.00 +0.020 A ATOM 4 C LIG 1 -4.239 0.136 0.533 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -5.227 -0.451 -0.380 0.00 0.00 +0.248 C ATOM 6 N LIG 1 -6.253 0.474 -0.508 0.00 0.00 -0.282 N ATOM 7 C LIG 1 -6.091 1.595 0.407 0.00 0.00 +0.144 C ATOM 8 O LIG 1 -5.129 -1.550 -0.889 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -4.740 1.351 0.991 0.00 0.00 -0.018 A ATOM 10 C LIG 1 -4.003 2.121 1.871 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -2.752 1.641 2.281 0.00 0.00 +0.007 A BRANCH 6 12 ATOM 12 C LIG 1 -7.537 0.194 -1.143 0.00 0.00 +0.163 C ATOM 13 C LIG 1 -8.417 -0.695 -0.250 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -8.380 -0.671 0.980 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -9.362 -1.456 -0.901 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -9.963 -2.013 -0.309 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -9.662 -1.463 -2.240 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -10.631 -2.084 -2.667 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -8.802 -0.599 -3.132 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -7.414 -0.406 -2.543 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 O LIG 1 0.059 0.359 1.300 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 2.142 0.493 0.601 0.00 0.00 -0.250 N ATOM 23 H LIG 1 1.635 0.970 -0.132 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 1.340 0.024 1.601 0.00 0.00 +0.405 C ATOM 25 O LIG 1 1.667 -0.589 2.605 0.00 0.00 -0.226 OA BRANCH 22 29 ATOM 26 C LIG 1 6.281 0.268 0.041 0.00 0.00 +0.075 A ATOM 27 N LIG 1 5.497 0.908 -0.865 0.00 0.00 -0.253 NA ATOM 28 C LIG 1 4.163 0.941 -0.628 0.00 0.00 +0.134 A ATOM 29 C LIG 1 3.538 0.382 0.483 0.00 0.00 +0.055 A ATOM 30 C LIG 1 4.357 -0.250 1.409 0.00 0.00 +0.027 A ATOM 31 C LIG 1 5.737 -0.305 1.190 0.00 0.00 +0.030 A BRANCH 26 33 ATOM 32 C LIG 1 8.559 -0.867 -0.105 0.00 0.00 +0.129 A ATOM 33 C LIG 1 7.731 0.271 -0.252 0.00 0.00 +0.042 A ATOM 34 C LIG 1 8.326 1.465 -0.714 0.00 0.00 +0.013 A ATOM 35 C LIG 1 9.690 1.544 -0.996 0.00 0.00 +0.001 A ATOM 36 C LIG 1 10.493 0.424 -0.825 0.00 0.00 +0.004 A ATOM 37 C LIG 1 9.932 -0.775 -0.382 0.00 0.00 +0.046 A BRANCH 32 39 ATOM 38 C LIG 1 8.697 -3.233 0.227 0.00 0.00 +0.277 C ATOM 39 O LIG 1 7.950 -2.026 0.311 0.00 0.00 -0.494 OA ENDBRANCH 32 39 ENDBRANCH 26 33 ENDBRANCH 22 29 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 7