REMARK Name = BDB019835 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.097 -1.183 -1.195 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.382 0.097 -1.483 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.341 1.224 -1.075 0.00 0.00 -0.012 A ATOM 4 C LIG 1 -1.560 1.035 -0.398 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.074 -0.250 -0.135 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.322 -1.360 -0.545 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.173 2.575 -1.324 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -0.036 3.262 -2.526 0.00 0.00 +0.222 A ATOM 9 N LIG 1 0.411 4.517 -2.771 0.00 0.00 -0.221 NA ATOM 10 C LIG 1 1.111 5.120 -1.786 0.00 0.00 +0.118 A ATOM 11 C LIG 1 1.393 4.534 -0.558 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.130 5.288 0.502 0.00 0.00 +0.045 C ATOM 13 C LIG 1 0.904 3.245 -0.331 0.00 0.00 +0.018 A BRANCH 8 14 ATOM 14 O LIG 1 -0.762 2.612 -3.508 0.00 0.00 -0.479 OA ATOM 15 C LIG 1 -0.902 3.369 -4.705 0.00 0.00 +0.279 C ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 18 ATOM 16 N LIG 1 1.124 -3.245 -0.635 0.00 0.00 -0.306 N ATOM 17 H LIG 1 1.802 -3.907 -1.000 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 0.719 -2.347 -1.593 0.00 0.00 +0.244 C ATOM 19 O LIG 1 1.050 -2.484 -2.767 0.00 0.00 -0.270 OA BRANCH 16 20 ATOM 20 C LIG 1 1.201 -3.023 0.804 0.00 0.00 +0.160 C BRANCH 20 23 ATOM 21 C LIG 1 3.454 -0.127 1.777 0.00 0.00 +0.123 A ATOM 22 C LIG 1 2.305 -0.863 1.501 0.00 0.00 +0.070 A ATOM 23 C LIG 1 2.421 -2.212 1.181 0.00 0.00 +0.062 A ATOM 24 N LIG 1 3.618 -2.846 1.134 0.00 0.00 -0.258 NA ATOM 25 C LIG 1 4.714 -2.114 1.417 0.00 0.00 +0.114 A ATOM 26 C LIG 1 4.686 -0.767 1.739 0.00 0.00 +0.065 A BRANCH 21 28 ATOM 27 C LIG 1 4.385 1.971 2.394 0.00 0.00 +0.277 C ATOM 28 O LIG 1 3.243 1.199 2.045 0.00 0.00 -0.495 OA ENDBRANCH 21 28 ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 18 BRANCH 5 29 ATOM 29 C LIG 1 -3.386 -0.365 0.619 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 N LIG 1 -3.983 -1.683 0.575 0.00 0.00 -0.313 N ATOM 31 C LIG 1 -3.691 -2.742 1.448 0.00 0.00 +0.204 A ATOM 32 N LIG 1 -2.883 -2.780 2.448 0.00 0.00 -0.268 NA ATOM 33 H LIG 1 -2.450 -1.866 2.572 0.00 0.00 +0.190 HD ATOM 34 N LIG 1 -4.452 -3.808 0.962 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -4.377 -5.144 1.500 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -5.127 -3.424 -0.186 0.00 0.00 +0.106 A ATOM 37 C LIG 1 -4.846 -2.132 -0.420 0.00 0.00 +0.107 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 8