REMARK Name = BDB010363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.514 -0.176 0.737 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.676 0.925 0.568 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.889 2.069 1.322 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.028 3.036 1.053 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 0.766 2.555 0.083 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.877 2.216 2.219 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.657 1.131 2.288 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.412 1.250 -0.214 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.530 -0.024 1.609 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -3.781 1.225 3.246 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.955 2.361 3.942 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.392 3.195 3.895 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.026 2.179 4.724 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.494 2.994 5.503 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.516 0.915 4.503 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.662 0.318 3.518 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -1.351 -1.379 0.063 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -0.381 -1.622 -0.079 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -1.575 -3.170 1.726 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -2.174 -2.523 0.474 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -2.180 -3.553 -0.672 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -2.885 -3.112 -1.987 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -4.151 -3.833 -1.491 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -3.238 -4.689 -0.594 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 N LIG 1 1.798 3.184 -0.550 0.00 0.00 -0.299 N ATOM 26 C LIG 1 2.637 3.990 0.347 0.00 0.00 +0.132 C BRANCH 25 27 ATOM 27 C LIG 1 1.442 3.883 -1.808 0.00 0.00 +0.151 C BRANCH 27 28 ATOM 28 C LIG 1 0.647 5.151 -1.710 0.00 0.00 +0.026 A ATOM 29 S LIG 1 -1.071 5.140 -1.714 0.00 0.00 -0.079 S ATOM 30 C LIG 1 -1.065 6.849 -1.588 0.00 0.00 +0.156 A ATOM 31 N LIG 1 0.115 7.428 -1.572 0.00 0.00 -0.255 NA ATOM 32 C LIG 1 1.094 6.456 -1.635 0.00 0.00 +0.123 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 8 33 ATOM 33 C LIG 1 1.081 0.414 -1.196 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 2.454 -0.130 -0.747 0.00 0.00 +0.009 C ATOM 35 C LIG 1 3.186 -0.722 -1.970 0.00 0.00 +0.005 C ATOM 36 C LIG 1 4.255 -1.725 -1.554 0.00 0.00 +0.003 C ATOM 37 C LIG 1 3.633 -2.945 -0.854 0.00 0.00 -0.014 C ATOM 38 C LIG 1 4.670 -3.625 0.041 0.00 0.00 +0.007 C ATOM 39 C LIG 1 2.359 -2.586 -0.067 0.00 0.00 +0.003 C ATOM 40 C LIG 1 2.372 -1.139 0.417 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 9