REMARK Name = BDB034344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.776 1.606 -0.833 0.00 0.00 +0.130 A ATOM 2 C LIG 1 1.996 1.979 -1.927 0.00 0.00 +0.074 A ATOM 3 C LIG 1 0.726 1.458 -2.126 0.00 0.00 +0.076 A ATOM 4 C LIG 1 0.204 0.534 -1.188 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -1.096 0.022 -1.439 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -1.802 0.474 -2.554 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -1.195 1.377 -3.401 0.00 0.00 +0.113 A ATOM 8 C LIG 1 0.996 0.188 -0.065 0.00 0.00 +0.015 A ATOM 9 N LIG 1 0.044 1.869 -3.207 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 2.270 0.725 0.115 0.00 0.00 +0.047 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 -1.757 -0.873 -0.557 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -1.084 -1.430 -0.038 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -2.683 -0.177 0.347 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -3.380 -1.201 1.244 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -4.344 -0.561 2.250 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -5.750 -0.560 1.849 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -6.324 -0.279 2.643 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -6.048 0.319 0.720 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 -7.533 0.460 0.517 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -8.217 -0.259 -0.450 0.00 0.00 +0.171 A ATOM 21 O LIG 1 -7.671 -1.137 -1.337 0.00 0.00 -0.452 OA ATOM 22 C LIG 1 -8.842 -1.580 -2.049 0.00 0.00 +0.466 C ATOM 23 O LIG 1 -10.054 -0.930 -1.619 0.00 0.00 -0.453 OA ATOM 24 C LIG 1 -9.579 -0.140 -0.618 0.00 0.00 +0.167 A ATOM 25 C LIG 1 -10.342 0.701 0.163 0.00 0.00 +0.049 A ATOM 26 C LIG 1 -9.688 1.441 1.149 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -8.297 1.321 1.326 0.00 0.00 +0.009 A ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 28 ATOM 28 O LIG 1 4.010 2.203 -0.709 0.00 0.00 -0.456 OA BRANCH 28 32 ATOM 29 C LIG 1 7.342 -0.161 0.275 0.00 0.00 -0.042 A ATOM 30 C LIG 1 7.058 1.053 0.933 0.00 0.00 +0.008 A ATOM 31 C LIG 1 5.941 1.824 0.595 0.00 0.00 +0.046 A ATOM 32 C LIG 1 5.074 1.389 -0.401 0.00 0.00 +0.128 A ATOM 33 C LIG 1 5.343 0.206 -1.086 0.00 0.00 +0.046 A ATOM 34 C LIG 1 6.462 -0.563 -0.745 0.00 0.00 +0.008 A BRANCH 29 36 ATOM 35 C LIG 1 8.487 -1.373 2.164 0.00 0.00 +0.015 C ATOM 36 C LIG 1 8.581 -0.982 0.673 0.00 0.00 -0.013 C ATOM 37 C LIG 1 8.749 -2.291 -0.131 0.00 0.00 +0.015 C ATOM 38 C LIG 1 9.856 -0.141 0.448 0.00 0.00 +0.015 C ENDBRANCH 29 36 ENDBRANCH 28 32 ENDBRANCH 1 28 TORSDOF 10