REMARK Name = BDB019836 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.542 0.243 -0.808 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.856 -0.975 -0.192 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -1.994 -1.095 0.621 0.00 0.00 +0.002 A ATOM 4 C LIG 1 -2.795 0.045 0.819 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -2.499 1.272 0.202 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.367 1.357 -0.620 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.342 -2.367 1.272 0.00 0.00 +0.078 A ATOM 8 C LIG 1 -2.679 -3.528 0.577 0.00 0.00 -0.000 A ATOM 9 C LIG 1 -2.719 -3.599 -0.926 0.00 0.00 +0.039 C ATOM 10 C LIG 1 -3.461 -4.823 -1.461 0.00 0.00 +0.005 C ATOM 11 C LIG 1 -3.014 -6.079 -0.724 0.00 0.00 +0.006 C ATOM 12 C LIG 1 -3.355 -5.962 0.758 0.00 0.00 +0.056 C ATOM 13 C LIG 1 -2.944 -4.645 1.365 0.00 0.00 +0.048 A ATOM 14 N LIG 1 -2.914 -4.611 2.713 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -2.600 -3.439 3.274 0.00 0.00 +0.222 A ATOM 16 N LIG 1 -2.317 -2.307 2.623 0.00 0.00 -0.235 NA ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 1.727 -0.409 -1.367 0.00 0.00 -0.303 N ATOM 18 H LIG 1 1.796 -0.711 -0.404 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 0.646 0.379 -1.691 0.00 0.00 +0.245 C ATOM 20 O LIG 1 0.626 1.167 -2.630 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 3.023 -0.154 -1.974 0.00 0.00 +0.125 C BRANCH 21 25 ATOM 22 C LIG 1 5.656 4.110 -1.345 0.00 0.00 +0.044 C ATOM 23 C LIG 1 5.086 2.833 -0.805 0.00 0.00 -0.047 A ATOM 24 C LIG 1 4.371 1.965 -1.634 0.00 0.00 +0.028 A ATOM 25 C LIG 1 3.817 0.806 -1.090 0.00 0.00 +0.062 A ATOM 26 N LIG 1 3.933 0.490 0.231 0.00 0.00 -0.258 NA ATOM 27 C LIG 1 4.617 1.352 1.012 0.00 0.00 +0.111 A ATOM 28 C LIG 1 5.200 2.520 0.549 0.00 0.00 +0.023 A ENDBRANCH 21 25 BRANCH 21 29 ATOM 29 C LIG 1 3.814 -1.431 -2.172 0.00 0.00 +0.015 C ATOM 30 C LIG 1 3.149 -2.715 -2.617 0.00 0.00 +0.006 C ATOM 31 C LIG 1 3.744 -2.619 -1.238 0.00 0.00 +0.006 C ENDBRANCH 21 29 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 32 ATOM 32 C LIG 1 -3.368 2.486 0.446 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 N LIG 1 -2.720 3.429 1.332 0.00 0.00 -0.313 N ATOM 34 C LIG 1 -2.061 4.601 0.942 0.00 0.00 +0.204 A ATOM 35 N LIG 1 -1.901 5.112 -0.226 0.00 0.00 -0.268 NA ATOM 36 H LIG 1 -2.345 4.525 -0.929 0.00 0.00 +0.190 HD ATOM 37 N LIG 1 -1.575 5.135 2.140 0.00 0.00 -0.320 N ATOM 38 C LIG 1 -0.692 6.272 2.191 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -1.877 4.288 3.193 0.00 0.00 +0.106 A ATOM 40 C LIG 1 -2.581 3.257 2.708 0.00 0.00 +0.107 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 7