REMARK Name = BDB021573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.609 -3.724 1.417 0.00 0.00 +0.057 C ATOM 2 C LIG 1 1.154 -2.451 0.676 0.00 0.00 +0.121 C ATOM 3 O LIG 1 2.290 -1.591 0.732 0.00 0.00 -0.484 OA ATOM 4 C LIG 1 2.470 -0.535 -0.107 0.00 0.00 +0.137 A ATOM 5 C LIG 1 1.660 -0.036 -1.131 0.00 0.00 +0.079 A ATOM 6 C LIG 1 2.112 1.103 -1.837 0.00 0.00 +0.020 A ATOM 7 C LIG 1 3.326 1.725 -1.541 0.00 0.00 +0.046 A ATOM 8 C LIG 1 4.123 1.229 -0.523 0.00 0.00 +0.125 A ATOM 9 C LIG 1 0.335 -0.544 -1.597 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -0.420 0.256 -2.151 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -0.023 -1.876 -1.450 0.00 0.00 -0.291 N ATOM 12 C LIG 1 3.697 0.106 0.181 0.00 0.00 +0.092 A ATOM 13 C LIG 1 0.803 -2.855 -0.764 0.00 0.00 +0.155 C ATOM 14 C LIG 1 0.002 -1.832 1.479 0.00 0.00 +0.057 C ENDROOT BRANCH 8 15 ATOM 15 O LIG 1 5.296 1.905 -0.308 0.00 0.00 -0.486 OA BRANCH 15 16 ATOM 16 C LIG 1 6.065 1.617 0.881 0.00 0.00 +0.208 C ATOM 17 C LIG 1 5.499 2.107 2.233 0.00 0.00 +0.153 C ATOM 18 N LIG 1 6.828 2.625 2.511 0.00 0.00 -0.297 N ATOM 19 C LIG 1 7.169 3.539 3.465 0.00 0.00 +0.328 C ATOM 20 O LIG 1 6.514 3.794 4.467 0.00 0.00 -0.279 OA ATOM 21 C LIG 1 7.259 2.568 1.127 0.00 0.00 +0.153 C ENDBRANCH 15 16 ENDBRANCH 8 15 BRANCH 11 22 ATOM 22 C LIG 1 -1.211 -2.374 -2.162 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -2.399 -2.708 -1.248 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -3.331 -3.528 -1.975 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -3.991 -2.886 -2.319 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -3.158 -1.489 -0.670 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -4.199 -0.998 -1.607 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -5.461 -0.679 -0.904 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -5.433 0.591 -0.084 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -4.547 1.633 -0.406 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -4.567 2.819 0.341 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.476 2.978 1.387 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.367 1.954 1.697 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.533 1.459 -1.510 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -6.350 0.767 0.963 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -3.777 0.201 -2.361 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 11 22 TORSDOF 7