REMARK Name = BDB010340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.500 -1.712 0.420 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.535 -0.853 -0.075 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.624 -1.066 0.643 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.272 -2.067 1.539 0.00 0.00 +0.185 A ATOM 5 N LIG 1 1.113 -2.619 2.427 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.341 -2.112 2.342 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.783 -1.131 1.521 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.920 -0.554 0.657 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.036 -2.422 1.419 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -2.289 -3.961 -1.194 0.00 0.00 +0.028 C ATOM 11 C LIG 1 -3.036 -2.620 -1.243 0.00 0.00 +0.073 C ATOM 12 N LIG 1 -2.769 -1.737 -0.074 0.00 0.00 -0.298 N ATOM 13 C LIG 1 -3.829 -1.684 0.957 0.00 0.00 +0.108 C ATOM 14 C LIG 1 -4.539 -3.021 1.123 0.00 0.00 +0.019 C ATOM 15 C LIG 1 -5.187 -3.482 -0.181 0.00 0.00 +0.003 C ATOM 16 C LIG 1 -4.547 -2.839 -1.411 0.00 0.00 +0.022 C ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 3.369 -2.666 3.252 0.00 0.00 +0.220 A ATOM 18 N LIG 1 4.625 -2.197 3.175 0.00 0.00 -0.269 N ATOM 19 H LIG 1 4.968 -1.492 2.545 0.00 0.00 +0.174 HD ATOM 20 C LIG 1 5.345 -2.855 4.091 0.00 0.00 +0.440 A ATOM 21 O LIG 1 6.535 -2.698 4.314 0.00 0.00 -0.221 OA ATOM 22 O LIG 1 4.519 -3.738 4.741 0.00 0.00 -0.295 OA ATOM 23 N LIG 1 3.220 -3.581 4.155 0.00 0.00 -0.051 NA ENDBRANCH 6 17 BRANCH 8 24 ATOM 24 N LIG 1 2.350 0.484 -0.156 0.00 0.00 -0.324 N ATOM 25 H LIG 1 1.619 1.147 -0.375 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 3.639 1.121 0.124 0.00 0.00 +0.072 C ATOM 27 C LIG 1 3.486 2.110 1.283 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 4.094 1.882 -1.135 0.00 0.00 +0.009 C ATOM 29 C LIG 1 4.436 1.011 -2.377 0.00 0.00 +0.005 C ATOM 30 C LIG 1 5.913 1.071 -1.950 0.00 0.00 +0.001 C ATOM 31 C LIG 1 5.574 2.357 -1.175 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 -0.744 0.080 -1.166 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 -1.566 1.327 -0.787 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -1.960 2.103 -2.059 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -2.103 3.613 -1.849 0.00 0.00 +0.003 C ATOM 36 C LIG 1 -2.630 3.994 -0.463 0.00 0.00 -0.014 C ATOM 37 C LIG 1 -4.103 3.607 -0.298 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -1.760 3.397 0.659 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -0.853 2.247 0.208 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 7