REMARK Name = BDB034140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.293 0.309 3.200 0.00 0.00 +0.247 C ATOM 2 N LIG 1 1.382 0.159 2.345 0.00 0.00 -0.297 N ATOM 3 C LIG 1 2.620 -0.392 2.890 0.00 0.00 +0.111 C ATOM 4 C LIG 1 3.838 0.163 2.168 0.00 0.00 +0.063 C ATOM 5 C LIG 1 3.798 -0.142 0.664 0.00 0.00 +0.176 C ATOM 6 C LIG 1 2.367 -0.291 0.130 0.00 0.00 +0.063 C ATOM 7 C LIG 1 1.384 0.552 0.930 0.00 0.00 +0.111 C ATOM 8 O LIG 1 0.284 -0.045 4.376 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 -3.059 0.765 1.527 0.00 0.00 -0.002 A ATOM 10 C LIG 1 -3.166 2.176 1.548 0.00 0.00 +0.124 A ATOM 11 C LIG 1 -2.163 2.946 2.155 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -1.037 2.336 2.710 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -0.919 0.950 2.663 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.921 0.163 2.095 0.00 0.00 +0.020 A BRANCH 9 18 ATOM 15 C LIG 1 -5.732 -1.947 -0.577 0.00 0.00 -0.006 C ATOM 16 C LIG 1 -4.297 -1.771 -1.104 0.00 0.00 +0.004 C ATOM 17 C LIG 1 -3.644 -0.489 -0.574 0.00 0.00 +0.008 C ATOM 18 C LIG 1 -4.115 -0.095 0.839 0.00 0.00 +0.023 C ATOM 19 C LIG 1 -4.536 -1.336 1.636 0.00 0.00 +0.008 C ATOM 20 C LIG 1 -5.705 -2.073 0.967 0.00 0.00 +0.004 C BRANCH 15 22 ATOM 21 C LIG 1 -5.838 -4.450 -1.231 0.00 0.00 +0.011 C ATOM 22 C LIG 1 -6.550 -3.085 -1.291 0.00 0.00 -0.035 C ATOM 23 C LIG 1 -7.944 -3.231 -0.642 0.00 0.00 +0.011 C ATOM 24 C LIG 1 -6.773 -2.721 -2.777 0.00 0.00 +0.011 C ENDBRANCH 15 22 ENDBRANCH 9 18 BRANCH 10 25 ATOM 25 O LIG 1 -4.282 2.699 0.951 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 -4.418 4.111 0.833 0.00 0.00 +0.188 C ATOM 27 C LIG 1 -4.977 4.775 2.100 0.00 0.00 +0.125 C ATOM 28 N LIG 1 -6.206 5.481 1.708 0.00 0.00 -0.312 NA ATOM 29 H LIG 1 -6.308 6.360 2.213 0.00 0.00 +0.122 HD ATOM 30 C LIG 1 -6.114 5.692 0.268 0.00 0.00 +0.084 C ATOM 31 C LIG 1 -5.483 4.406 -0.221 0.00 0.00 +0.061 C ENDBRANCH 25 26 ENDBRANCH 10 25 ENDBRANCH 1 13 BRANCH 5 32 ATOM 32 O LIG 1 4.439 0.963 -0.003 0.00 0.00 -0.487 OA BRANCH 32 33 ATOM 33 C LIG 1 5.268 0.598 -1.032 0.00 0.00 +0.140 A ATOM 34 C LIG 1 5.029 1.116 -2.308 0.00 0.00 +0.093 A ATOM 35 C LIG 1 5.897 0.783 -3.349 0.00 0.00 +0.024 A ATOM 36 C LIG 1 7.003 -0.040 -3.105 0.00 0.00 +0.024 A ATOM 37 C LIG 1 7.280 -0.545 -1.824 0.00 0.00 +0.033 A ATOM 38 C LIG 1 6.397 -0.198 -0.791 0.00 0.00 +0.070 A BRANCH 37 39 ATOM 39 N LIG 1 8.411 -1.349 -1.639 0.00 0.00 -0.327 N ATOM 40 C LIG 1 9.685 -0.633 -1.913 0.00 0.00 +0.120 C ATOM 41 C LIG 1 10.900 -1.400 -1.344 0.00 0.00 +0.100 C ATOM 42 N LIG 1 10.848 -1.629 0.115 0.00 0.00 -0.313 NA ATOM 43 H LIG 1 11.398 -2.460 0.328 0.00 0.00 +0.122 HD ATOM 44 C LIG 1 9.460 -1.814 0.581 0.00 0.00 +0.100 C ATOM 45 C LIG 1 8.471 -2.294 -0.503 0.00 0.00 +0.120 C ENDBRANCH 37 39 BRANCH 34 46 ATOM 46 C LIG 1 3.904 1.966 -2.567 0.00 0.00 +0.103 C ATOM 47 N LIG 1 2.988 2.641 -2.799 0.00 0.00 -0.191 NA ENDBRANCH 34 46 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9