REMARK Name = BDB010296 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.754 -1.396 0.110 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.521 -0.939 -0.361 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.128 -1.647 -1.364 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.343 -1.119 -1.660 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.495 -0.105 -0.844 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.355 -2.748 -1.960 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.534 -3.116 -1.448 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.357 0.089 -0.070 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.229 -2.517 -0.467 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -2.130 -4.329 -2.048 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -1.462 -4.976 -3.018 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -0.566 -4.729 -3.406 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -2.215 -6.022 -3.380 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -1.938 -6.844 -4.238 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.360 -6.016 -2.621 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.264 -4.879 -1.754 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 2.621 0.657 -0.689 0.00 0.00 -0.298 N ATOM 18 C LIG 1 3.930 -0.068 -0.706 0.00 0.00 +0.079 C ATOM 19 C LIG 1 4.303 -0.489 -2.146 0.00 0.00 +0.023 C ATOM 20 C LIG 1 3.933 0.561 -3.195 0.00 0.00 +0.003 C ATOM 21 C LIG 1 3.741 1.928 -2.559 0.00 0.00 +0.019 C ATOM 22 C LIG 1 2.632 1.896 -1.506 0.00 0.00 +0.108 C BRANCH 18 23 ATOM 23 C LIG 1 4.004 -1.237 0.328 0.00 0.00 +0.010 C ATOM 24 C LIG 1 3.829 -0.713 1.768 0.00 0.00 +0.005 C ATOM 25 C LIG 1 3.936 -1.826 2.808 0.00 0.00 +0.000 C ATOM 26 C LIG 1 5.250 -2.585 2.683 0.00 0.00 +0.000 C ATOM 27 C LIG 1 5.441 -3.123 1.272 0.00 0.00 +0.000 C ATOM 28 C LIG 1 5.331 -2.018 0.223 0.00 0.00 +0.005 C ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 29 ATOM 29 N LIG 1 -2.467 -0.785 1.123 0.00 0.00 -0.324 N ATOM 30 H LIG 1 -2.349 0.215 1.148 0.00 0.00 +0.148 HD BRANCH 29 32 ATOM 31 C LIG 1 -3.799 -2.589 2.180 0.00 0.00 +0.028 C ATOM 32 C LIG 1 -3.817 -1.211 1.516 0.00 0.00 +0.072 C BRANCH 32 33 ATOM 33 C LIG 1 -4.851 -1.154 0.380 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -5.078 0.225 -0.303 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -6.257 0.453 0.658 0.00 0.00 +0.001 C ATOM 36 C LIG 1 -6.342 -1.076 0.818 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 1 29 BRANCH 8 37 ATOM 37 C LIG 1 0.229 1.091 0.975 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 -0.230 2.483 0.495 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -0.027 3.517 1.615 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -0.439 4.921 1.173 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.883 4.957 0.657 0.00 0.00 -0.014 C ATOM 42 C LIG 1 -2.244 6.355 0.159 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -2.092 3.916 -0.450 0.00 0.00 +0.003 C ATOM 44 C LIG 1 -1.687 2.517 0.014 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 8