REMARK Name = BDB034133 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.112 0.664 2.172 0.00 0.00 +0.247 C ATOM 2 N LIG 1 1.212 0.724 1.739 0.00 0.00 -0.297 N ATOM 3 C LIG 1 2.214 0.045 2.557 0.00 0.00 +0.111 C ATOM 4 C LIG 1 3.617 0.534 2.247 0.00 0.00 +0.063 C ATOM 5 C LIG 1 3.983 0.304 0.777 0.00 0.00 +0.176 C ATOM 6 C LIG 1 2.764 0.361 -0.155 0.00 0.00 +0.063 C ATOM 7 C LIG 1 1.641 1.215 0.425 0.00 0.00 +0.111 C ATOM 8 O LIG 1 -0.461 0.017 3.158 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 -3.354 1.288 0.336 0.00 0.00 -0.002 A ATOM 10 C LIG 1 -3.236 2.663 0.055 0.00 0.00 +0.124 A ATOM 11 C LIG 1 -2.087 3.373 0.423 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -1.059 2.740 1.122 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -1.164 1.381 1.416 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.306 0.665 1.038 0.00 0.00 +0.020 A BRANCH 9 18 ATOM 15 C LIG 1 -5.410 -2.469 0.152 0.00 0.00 -0.006 C ATOM 16 C LIG 1 -6.237 -1.260 0.649 0.00 0.00 +0.004 C ATOM 17 C LIG 1 -5.332 -0.115 1.093 0.00 0.00 +0.008 C ATOM 18 C LIG 1 -4.570 0.477 -0.104 0.00 0.00 +0.023 C ATOM 19 C LIG 1 -4.207 -0.592 -1.159 0.00 0.00 +0.008 C ATOM 20 C LIG 1 -4.131 -2.014 -0.598 0.00 0.00 +0.004 C BRANCH 15 22 ATOM 21 C LIG 1 -6.697 -3.073 -2.009 0.00 0.00 +0.011 C ATOM 22 C LIG 1 -6.266 -3.547 -0.609 0.00 0.00 -0.035 C ATOM 23 C LIG 1 -5.454 -4.854 -0.764 0.00 0.00 +0.011 C ATOM 24 C LIG 1 -7.537 -3.897 0.196 0.00 0.00 +0.011 C ENDBRANCH 15 22 ENDBRANCH 9 18 BRANCH 10 25 ATOM 25 O LIG 1 -4.237 3.267 -0.663 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 -4.793 4.425 -0.038 0.00 0.00 +0.188 C ATOM 27 C LIG 1 -5.675 4.116 1.184 0.00 0.00 +0.125 C ATOM 28 N LIG 1 -6.987 4.732 0.934 0.00 0.00 -0.312 NA ATOM 29 H LIG 1 -7.369 5.140 1.785 0.00 0.00 +0.122 HD ATOM 30 C LIG 1 -6.775 5.742 -0.097 0.00 0.00 +0.084 C ATOM 31 C LIG 1 -5.765 5.084 -1.012 0.00 0.00 +0.061 C ENDBRANCH 25 26 ENDBRANCH 10 25 ENDBRANCH 1 13 BRANCH 5 32 ATOM 32 O LIG 1 4.908 1.347 0.416 0.00 0.00 -0.487 OA BRANCH 32 33 ATOM 33 C LIG 1 5.949 0.945 -0.382 0.00 0.00 +0.140 A ATOM 34 C LIG 1 6.151 1.597 -1.598 0.00 0.00 +0.093 A ATOM 35 C LIG 1 7.242 1.234 -2.385 0.00 0.00 +0.024 A ATOM 36 C LIG 1 8.126 0.239 -1.947 0.00 0.00 +0.024 A ATOM 37 C LIG 1 7.961 -0.426 -0.717 0.00 0.00 +0.033 A ATOM 38 C LIG 1 6.861 -0.027 0.061 0.00 0.00 +0.070 A BRANCH 37 39 ATOM 39 N LIG 1 8.881 -1.391 -0.296 0.00 0.00 -0.327 N ATOM 40 C LIG 1 9.477 -2.252 -1.344 0.00 0.00 +0.120 C ATOM 41 C LIG 1 10.094 -3.548 -0.771 0.00 0.00 +0.100 C ATOM 42 N LIG 1 10.919 -3.304 0.421 0.00 0.00 -0.313 NA ATOM 43 H LIG 1 11.623 -2.607 0.163 0.00 0.00 +0.122 HD ATOM 44 C LIG 1 10.091 -2.686 1.478 0.00 0.00 +0.100 C ATOM 45 C LIG 1 8.766 -2.011 1.038 0.00 0.00 +0.120 C ENDBRANCH 37 39 BRANCH 34 46 ATOM 46 C LIG 1 5.257 2.620 -2.053 0.00 0.00 +0.103 C ATOM 47 N LIG 1 4.531 3.436 -2.447 0.00 0.00 -0.191 NA ENDBRANCH 34 46 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9