REMARK Name = BDB043757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.496 1.289 -1.153 0.00 0.00 +0.221 C ATOM 2 N LIG 1 -0.504 0.418 -1.514 0.00 0.00 -0.310 N ATOM 3 H LIG 1 -0.396 -0.142 -2.356 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 0.560 1.832 -0.052 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 1.540 1.533 -2.221 0.00 0.00 +0.172 C BRANCH 5 9 ATOM 6 C LIG 1 5.660 -0.256 -0.251 0.00 0.00 +0.086 A ATOM 7 C LIG 1 4.531 -0.180 -1.136 0.00 0.00 +0.183 A ATOM 8 N LIG 1 3.643 0.846 -0.988 0.00 0.00 -0.283 N ATOM 9 C LIG 1 2.703 0.650 -1.973 0.00 0.00 +0.147 A ATOM 10 N LIG 1 3.021 -0.435 -2.659 0.00 0.00 -0.133 NA ATOM 11 C LIG 1 3.831 1.788 0.006 0.00 0.00 +0.117 A ATOM 12 C LIG 1 4.906 1.666 0.813 0.00 0.00 +0.055 A ATOM 13 C LIG 1 5.169 2.642 1.925 0.00 0.00 +0.067 C ATOM 14 N LIG 1 4.178 -0.964 -2.127 0.00 0.00 -0.128 NA ATOM 15 N LIG 1 5.836 0.638 0.690 0.00 0.00 -0.252 NA BRANCH 6 16 ATOM 16 C LIG 1 6.640 -1.397 -0.393 0.00 0.00 +0.059 C BRANCH 16 18 ATOM 17 C LIG 1 7.187 -3.732 0.373 0.00 0.00 +0.004 C ATOM 18 C LIG 1 6.198 -2.582 0.460 0.00 0.00 +0.003 C ENDBRANCH 16 18 ENDBRANCH 6 16 ENDBRANCH 5 9 ENDBRANCH 1 5 BRANCH 2 19 ATOM 19 C LIG 1 -1.568 -0.009 -0.600 0.00 0.00 +0.102 C BRANCH 19 20 ATOM 20 C LIG 1 -1.574 -1.567 -0.565 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 C LIG 1 -2.583 -2.212 0.414 0.00 0.00 +0.019 C ATOM 22 C LIG 1 -2.427 -1.669 1.849 0.00 0.00 +0.006 C ATOM 23 C LIG 1 -2.958 -2.611 2.934 0.00 0.00 +0.000 C ATOM 24 C LIG 1 -4.051 -3.530 2.411 0.00 0.00 +0.000 C ATOM 25 C LIG 1 -3.547 -4.409 1.266 0.00 0.00 +0.000 C ATOM 26 C LIG 1 -2.462 -3.746 0.413 0.00 0.00 +0.006 C ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 O LIG 1 -1.802 -2.058 -1.898 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 -2.761 -2.038 -2.067 0.00 0.00 +0.210 HD ENDBRANCH 20 27 ENDBRANCH 19 20 BRANCH 19 29 ATOM 29 C LIG 1 -2.915 0.588 -1.066 0.00 0.00 +0.028 C BRANCH 29 30 ATOM 30 C LIG 1 -2.995 2.131 -1.025 0.00 0.00 -0.009 C ATOM 31 C LIG 1 -4.297 2.600 -1.700 0.00 0.00 +0.003 C ATOM 32 C LIG 1 -4.439 4.120 -1.669 0.00 0.00 +0.000 C ATOM 33 C LIG 1 -4.345 4.662 -0.247 0.00 0.00 +0.000 C ATOM 34 C LIG 1 -3.066 4.202 0.442 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -2.920 2.682 0.409 0.00 0.00 +0.003 C ENDBRANCH 29 30 ENDBRANCH 19 29 ENDBRANCH 2 19 TORSDOF 10