REMARK Name = BDB006919 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.104 -0.679 -0.373 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.145 -0.604 -0.969 0.00 0.00 -0.269 N ATOM 3 C LIG 1 0.842 0.462 -1.569 0.00 0.00 +0.043 A ATOM 4 C LIG 1 2.024 -0.015 -2.133 0.00 0.00 +0.002 A ATOM 5 C LIG 1 2.866 0.864 -2.777 0.00 0.00 +0.117 A ATOM 6 N LIG 1 2.602 2.183 -2.862 0.00 0.00 -0.259 NA ATOM 7 C LIG 1 1.460 2.644 -2.280 0.00 0.00 +0.047 A ATOM 8 C LIG 1 2.172 -1.503 -1.954 0.00 0.00 +0.036 C ATOM 9 C LIG 1 1.892 -2.228 -3.279 0.00 0.00 +0.020 C ATOM 10 C LIG 1 0.552 1.811 -1.622 0.00 0.00 +0.047 A ATOM 11 C LIG 1 1.039 -1.776 -0.939 0.00 0.00 +0.127 C ATOM 12 O LIG 1 -1.393 -1.658 0.325 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 13 ATOM 13 C LIG 1 -2.105 0.456 -0.636 0.00 0.00 +0.181 C BRANCH 13 20 ATOM 14 C LIG 1 -5.793 -2.303 -2.554 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -5.449 -1.192 -1.564 0.00 0.00 +0.065 C ATOM 16 N LIG 1 -5.966 -1.566 -0.232 0.00 0.00 -0.310 NA ATOM 17 H LIG 1 -6.984 -1.612 -0.267 0.00 0.00 +0.122 HD ATOM 18 C LIG 1 -5.564 -0.544 0.755 0.00 0.00 +0.109 C ATOM 19 C LIG 1 -4.034 -0.287 0.787 0.00 0.00 +0.158 C ATOM 20 N LIG 1 -3.541 0.100 -0.568 0.00 0.00 -0.280 NA ATOM 21 C LIG 1 -3.917 -0.931 -1.552 0.00 0.00 +0.104 C BRANCH 19 22 ATOM 22 C LIG 1 -3.793 0.827 1.837 0.00 0.00 +0.234 C ATOM 23 N LIG 1 -3.591 0.440 3.167 0.00 0.00 -0.306 N ATOM 24 C LIG 1 -3.327 -0.933 3.574 0.00 0.00 +0.131 C ATOM 25 C LIG 1 -3.224 1.467 4.128 0.00 0.00 +0.131 C ATOM 26 O LIG 1 -3.818 2.022 1.521 0.00 0.00 -0.274 OA ENDBRANCH 19 22 ENDBRANCH 13 20 ENDBRANCH 1 13 BRANCH 7 27 ATOM 27 C LIG 1 1.206 4.135 -2.352 0.00 0.00 +0.090 C BRANCH 27 28 ATOM 28 C LIG 1 1.301 4.831 -1.013 0.00 0.00 -0.042 A ATOM 29 C LIG 1 0.152 5.318 -0.374 0.00 0.00 +0.004 A ATOM 30 C LIG 1 0.248 5.944 0.870 0.00 0.00 +0.000 A ATOM 31 C LIG 1 1.491 6.089 1.488 0.00 0.00 +0.000 A ATOM 32 C LIG 1 2.639 5.609 0.861 0.00 0.00 +0.000 A ATOM 33 C LIG 1 2.545 4.982 -0.382 0.00 0.00 +0.004 A ENDBRANCH 27 28 ENDBRANCH 7 27 BRANCH 8 34 ATOM 34 C LIG 1 3.538 -1.906 -1.378 0.00 0.00 +0.173 C BRANCH 34 35 ATOM 35 O LIG 1 3.524 -3.297 -1.047 0.00 0.00 -0.374 OA BRANCH 35 36 ATOM 36 C LIG 1 4.772 -3.756 -0.520 0.00 0.00 +0.195 C BRANCH 36 37 ATOM 37 C LIG 1 4.974 -3.326 0.912 0.00 0.00 -0.022 A ATOM 38 C LIG 1 3.965 -3.528 1.866 0.00 0.00 +0.006 A ATOM 39 C LIG 1 4.155 -3.139 3.193 0.00 0.00 +0.000 A ATOM 40 C LIG 1 5.358 -2.553 3.582 0.00 0.00 +0.000 A ATOM 41 C LIG 1 6.372 -2.356 2.646 0.00 0.00 +0.000 A ATOM 42 C LIG 1 6.183 -2.743 1.317 0.00 0.00 +0.006 A ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 9