REMARK Name = BDB007791 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.739 -1.323 0.995 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -1.080 -0.616 0.242 0.00 0.00 +0.244 C ATOM 3 N LIG 1 -1.641 0.145 -0.765 0.00 0.00 -0.309 N ATOM 4 H LIG 1 -1.089 0.902 -1.145 0.00 0.00 +0.149 HD ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.400 -0.520 0.400 0.00 0.00 +0.037 A ATOM 6 C LIG 1 0.958 -0.830 1.644 0.00 0.00 +0.016 A ATOM 7 C LIG 1 2.341 -0.749 1.832 0.00 0.00 +0.046 A ATOM 8 C LIG 1 3.183 -0.359 0.787 0.00 0.00 +0.121 A ATOM 9 C LIG 1 2.630 -0.076 -0.462 0.00 0.00 +0.046 A ATOM 10 C LIG 1 1.244 -0.159 -0.658 0.00 0.00 +0.016 A BRANCH 8 11 ATOM 11 O LIG 1 4.507 -0.319 1.114 0.00 0.00 -0.489 OA BRANCH 11 12 ATOM 12 C LIG 1 5.429 0.337 0.230 0.00 0.00 +0.176 C ATOM 13 C LIG 1 6.011 -0.685 -0.755 0.00 0.00 +0.060 C ATOM 14 C LIG 1 7.421 -0.288 -1.182 0.00 0.00 +0.088 C ATOM 15 N LIG 1 8.358 -0.281 -0.054 0.00 0.00 -0.300 NA ATOM 16 C LIG 1 7.732 0.048 1.236 0.00 0.00 +0.088 C ATOM 17 C LIG 1 6.526 0.974 1.099 0.00 0.00 +0.060 C BRANCH 15 18 ATOM 18 C LIG 1 9.568 0.527 -0.305 0.00 0.00 +0.112 C BRANCH 18 19 ATOM 19 C LIG 1 10.368 0.169 -1.573 0.00 0.00 +0.171 C BRANCH 19 20 ATOM 20 O LIG 1 10.934 -1.133 -1.475 0.00 0.00 -0.394 OA ATOM 21 H LIG 1 11.400 -1.312 -2.308 0.00 0.00 +0.209 HD ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 2 5 BRANCH 3 22 ATOM 22 C LIG 1 -3.091 0.287 -0.882 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -3.785 -1.003 -1.351 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 -3.145 -1.458 -2.557 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -2.205 -1.551 -2.317 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -5.281 -0.778 -1.655 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -6.059 -0.155 -0.570 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -7.402 0.213 -1.065 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -8.315 0.759 0.013 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -8.074 0.483 1.369 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -8.947 0.978 2.348 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -10.068 1.721 1.980 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -10.323 1.978 0.635 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.844 -0.291 1.771 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -9.454 1.496 -0.345 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.202 -1.044 0.595 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 11