REMARK Name = BDB008533 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.404 -0.905 0.623 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -1.710 -0.601 0.661 0.00 0.00 -0.197 NA ATOM 3 C LIG 1 -2.562 -1.482 1.223 0.00 0.00 +0.149 A ATOM 4 C LIG 1 -2.128 -2.711 1.734 0.00 0.00 +0.084 A ATOM 5 C LIG 1 -0.763 -2.903 1.679 0.00 0.00 +0.140 A ATOM 6 N LIG 1 0.104 -2.037 1.125 0.00 0.00 -0.221 NA ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -2.976 -3.559 2.483 0.00 0.00 -0.354 N ATOM 8 H LIG 1 -2.618 -4.510 2.538 0.00 0.00 +0.142 HD ATOM 9 H LIG 1 -3.101 -3.191 3.426 0.00 0.00 +0.142 HD ENDBRANCH 4 7 BRANCH 1 10 ATOM 10 N LIG 1 0.399 0.065 0.029 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -0.188 0.836 -0.254 0.00 0.00 +0.155 HD BRANCH 10 15 ATOM 12 C LIG 1 4.525 0.530 -0.802 0.00 0.00 +0.059 A ATOM 13 C LIG 1 3.602 1.530 -1.123 0.00 0.00 +0.017 A ATOM 14 C LIG 1 2.243 1.349 -0.838 0.00 0.00 +0.024 A ATOM 15 C LIG 1 1.768 0.175 -0.228 0.00 0.00 +0.034 A ATOM 16 C LIG 1 2.705 -0.814 0.086 0.00 0.00 +0.024 A ATOM 17 C LIG 1 4.067 -0.643 -0.196 0.00 0.00 +0.017 A BRANCH 12 18 ATOM 18 C LIG 1 5.981 0.661 -1.079 0.00 0.00 +0.339 C ATOM 19 O LIG 1 6.800 -0.202 -0.806 0.00 0.00 -0.245 OA BRANCH 18 20 ATOM 20 O LIG 1 6.248 1.853 -1.670 0.00 0.00 -0.461 OA BRANCH 20 22 ATOM 21 C LIG 1 7.959 1.524 -3.351 0.00 0.00 +0.048 C ATOM 22 C LIG 1 7.626 2.098 -1.986 0.00 0.00 +0.229 C ENDBRANCH 20 22 ENDBRANCH 18 20 ENDBRANCH 12 18 ENDBRANCH 10 15 ENDBRANCH 1 10 BRANCH 3 23 ATOM 23 N LIG 1 -3.955 -1.220 1.276 0.00 0.00 -0.297 N ATOM 24 H LIG 1 -4.371 -1.714 2.068 0.00 0.00 +0.154 HD BRANCH 23 25 ATOM 25 C LIG 1 -4.709 -0.099 0.869 0.00 0.00 +0.047 A ATOM 26 C LIG 1 -5.947 0.222 1.475 0.00 0.00 +0.080 A ATOM 27 C LIG 1 -6.693 1.329 1.023 0.00 0.00 +0.017 A ATOM 28 C LIG 1 -6.234 2.118 -0.029 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -5.031 1.804 -0.644 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -4.284 0.706 -0.203 0.00 0.00 +0.024 A BRANCH 26 31 ATOM 31 C LIG 1 -6.558 -0.538 2.602 0.00 0.00 +0.339 C ATOM 32 O LIG 1 -7.663 -0.337 3.075 0.00 0.00 -0.245 OA BRANCH 31 33 ATOM 33 O LIG 1 -5.779 -1.512 3.115 0.00 0.00 -0.477 OA ATOM 34 H LIG 1 -6.353 -1.889 3.817 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 26 31 ENDBRANCH 23 25 ENDBRANCH 3 23 TORSDOF 10