REMARK Name = BDB027196 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.994 -0.243 0.271 0.00 0.00 +0.071 A ATOM 2 N LIG 1 2.095 0.712 -0.683 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 1.031 1.528 -0.872 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.165 1.479 -0.150 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -0.238 0.517 0.866 0.00 0.00 -0.003 A ATOM 6 C LIG 1 0.851 -0.353 1.062 0.00 0.00 +0.035 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 5.440 -2.816 0.693 0.00 0.00 +0.120 A ATOM 8 C LIG 1 5.587 -1.497 0.272 0.00 0.00 +0.046 A ATOM 9 C LIG 1 4.461 -0.673 0.135 0.00 0.00 +0.013 A ATOM 10 C LIG 1 3.163 -1.135 0.418 0.00 0.00 +0.001 A ATOM 11 C LIG 1 3.038 -2.473 0.831 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.161 -3.298 0.970 0.00 0.00 +0.046 A BRANCH 7 14 ATOM 13 C LIG 1 7.765 -3.286 0.566 0.00 0.00 +0.277 C ATOM 14 O LIG 1 6.446 -3.724 0.870 0.00 0.00 -0.495 OA ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 4 15 ATOM 15 N LIG 1 -1.247 2.348 -0.383 0.00 0.00 -0.327 N ATOM 16 C LIG 1 -1.756 2.296 -1.775 0.00 0.00 +0.123 C ATOM 17 C LIG 1 -2.832 3.387 -1.968 0.00 0.00 +0.068 C ATOM 18 C LIG 1 -2.198 4.779 -1.810 0.00 0.00 +0.021 C ATOM 19 C LIG 1 -0.964 4.770 -0.901 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -1.043 3.699 0.183 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 N LIG 1 -3.521 3.298 -3.257 0.00 0.00 -0.326 NA ATOM 22 H LIG 1 -4.257 4.003 -3.304 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 -3.991 2.394 -3.333 0.00 0.00 +0.119 HD ENDBRANCH 17 21 ENDBRANCH 4 15 BRANCH 5 24 ATOM 24 C LIG 1 -1.461 0.362 1.734 0.00 0.00 +0.161 C BRANCH 24 25 ATOM 25 N LIG 1 -2.455 -0.493 1.116 0.00 0.00 -0.310 N ATOM 26 C LIG 1 -2.492 -1.859 1.165 0.00 0.00 +0.166 A ATOM 27 C LIG 1 -3.640 -2.205 0.468 0.00 0.00 +0.147 A ATOM 28 C LIG 1 -3.917 -3.577 0.353 0.00 0.00 +0.147 A ATOM 29 N LIG 1 -3.076 -4.458 0.941 0.00 0.00 -0.219 NA ATOM 30 C LIG 1 -1.993 -3.975 1.588 0.00 0.00 +0.225 A ATOM 31 N LIG 1 -4.312 -1.078 0.033 0.00 0.00 -0.231 NA ATOM 32 N LIG 1 -1.618 -2.691 1.757 0.00 0.00 -0.216 NA ATOM 33 C LIG 1 -3.572 -0.070 0.445 0.00 0.00 +0.202 A BRANCH 28 34 ATOM 34 N LIG 1 -5.030 -4.076 -0.312 0.00 0.00 -0.341 N ATOM 35 H LIG 1 -5.279 -5.003 0.004 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 -5.773 -3.394 -0.418 0.00 0.00 +0.144 HD ENDBRANCH 28 34 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 7