REMARK Name = BDB005147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.238 1.418 2.931 0.00 0.00 -0.324 N ATOM 2 H LIG 1 1.786 0.564 2.991 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 11 ATOM 3 C LIG 1 4.402 1.451 0.068 0.00 0.00 +0.122 A ATOM 4 C LIG 1 3.379 1.459 1.008 0.00 0.00 +0.059 A ATOM 5 C LIG 1 2.029 1.697 0.647 0.00 0.00 +0.044 A ATOM 6 C LIG 1 1.698 1.961 -0.695 0.00 0.00 +0.088 A ATOM 7 N LIG 1 0.419 2.221 -1.044 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 -0.502 2.237 -0.075 0.00 0.00 +0.223 A ATOM 9 N LIG 1 -0.292 1.988 1.215 0.00 0.00 -0.220 NA ATOM 10 C LIG 1 2.747 1.938 -1.637 0.00 0.00 +0.066 A ATOM 11 C LIG 1 0.966 1.693 1.576 0.00 0.00 +0.130 A ATOM 12 C LIG 1 4.081 1.679 -1.258 0.00 0.00 +0.060 A BRANCH 10 13 ATOM 13 C LIG 1 2.534 2.173 -3.099 0.00 0.00 +0.244 C ATOM 14 O LIG 1 3.426 1.963 -3.914 0.00 0.00 -0.270 OA ATOM 15 N LIG 1 1.317 2.624 -3.518 0.00 0.00 -0.325 N ATOM 16 H LIG 1 0.533 2.643 -2.870 0.00 0.00 +0.145 HD ATOM 17 H LIG 1 1.142 2.672 -4.511 0.00 0.00 +0.145 HD ENDBRANCH 10 13 BRANCH 3 18 ATOM 18 O LIG 1 5.646 1.208 0.572 0.00 0.00 -0.491 OA BRANCH 18 19 ATOM 19 C LIG 1 6.750 1.285 -0.340 0.00 0.00 +0.244 C BRANCH 19 20 ATOM 20 C LIG 1 8.045 1.065 0.463 0.00 0.00 +0.124 C BRANCH 20 22 ATOM 21 C LIG 1 9.578 2.398 -0.889 0.00 0.00 +0.104 C ATOM 22 N LIG 1 9.323 1.101 -0.267 0.00 0.00 -0.305 NA ATOM 23 C LIG 1 9.444 0.019 -1.241 0.00 0.00 +0.104 C ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 3 18 ENDBRANCH 1 11 BRANCH 1 24 ATOM 24 C LIG 1 0.108 1.365 3.852 0.00 0.00 +0.138 C BRANCH 24 25 ATOM 25 C LIG 1 -0.493 -0.022 3.896 0.00 0.00 -0.029 A ATOM 26 C LIG 1 -1.693 -0.300 3.223 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -2.257 -1.583 3.241 0.00 0.00 +0.034 A ATOM 28 C LIG 1 -1.598 -2.600 3.932 0.00 0.00 +0.023 A ATOM 29 C LIG 1 -0.400 -2.338 4.603 0.00 0.00 +0.002 A ATOM 30 C LIG 1 0.150 -1.058 4.588 0.00 0.00 +0.005 A BRANCH 27 31 ATOM 31 N LIG 1 -3.469 -1.760 2.544 0.00 0.00 -0.281 N ATOM 32 H LIG 1 -3.842 -0.925 2.108 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -4.246 -2.901 2.484 0.00 0.00 +0.248 C ATOM 34 O LIG 1 -4.050 -3.964 3.059 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -5.476 -2.769 1.661 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -5.471 -2.071 0.449 0.00 0.00 +0.056 A ATOM 37 C LIG 1 -6.653 -1.943 -0.271 0.00 0.00 +0.122 A ATOM 38 N LIG 1 -7.800 -2.482 0.199 0.00 0.00 -0.240 NA ATOM 39 C LIG 1 -7.777 -3.185 1.354 0.00 0.00 +0.113 A ATOM 40 C LIG 1 -6.645 -3.362 2.116 0.00 0.00 +0.033 A BRANCH 37 41 ATOM 41 N LIG 1 -6.697 -1.220 -1.446 0.00 0.00 -0.315 N ATOM 42 C LIG 1 -5.578 -1.209 -2.387 0.00 0.00 +0.106 C ATOM 43 C LIG 1 -6.231 -1.037 -3.761 0.00 0.00 +0.020 C ATOM 44 C LIG 1 -7.587 -0.423 -3.447 0.00 0.00 +0.020 C ATOM 45 C LIG 1 -7.971 -1.129 -2.152 0.00 0.00 +0.106 C ENDBRANCH 37 41 ENDBRANCH 33 35 ENDBRANCH 27 31 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 11