REMARK Name = BDB028133 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.381 -0.095 3.074 0.00 0.00 +0.046 C ATOM 2 C LIG 1 2.578 0.669 1.797 0.00 0.00 -0.017 A ATOM 3 C LIG 1 2.096 2.003 1.730 0.00 0.00 +0.116 A ATOM 4 N LIG 1 1.439 2.749 2.680 0.00 0.00 -0.129 NA ATOM 5 N LIG 1 1.176 3.943 2.169 0.00 0.00 -0.065 NA ATOM 6 N LIG 1 1.632 3.948 0.904 0.00 0.00 -0.244 N ATOM 7 C LIG 1 1.509 5.144 0.102 0.00 0.00 +0.146 C ATOM 8 C LIG 1 0.648 5.006 -1.156 0.00 0.00 +0.023 C ATOM 9 C LIG 1 -0.867 5.036 -0.930 0.00 0.00 +0.002 C ATOM 10 C LIG 1 -1.437 3.782 -0.262 0.00 0.00 +0.000 C ATOM 11 C LIG 1 -2.964 3.735 -0.409 0.00 0.00 +0.005 C ATOM 12 C LIG 1 -3.622 2.557 0.326 0.00 0.00 +0.036 C ATOM 13 C LIG 1 -3.471 1.141 -0.220 0.00 0.00 -0.040 A ATOM 14 C LIG 1 -3.998 0.032 0.521 0.00 0.00 -0.014 A ATOM 15 C LIG 1 -3.843 -1.290 0.019 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -4.390 -2.374 0.750 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -5.059 -2.183 1.955 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -5.203 -0.901 2.459 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -3.142 -1.469 -1.195 0.00 0.00 +0.045 A ATOM 20 C LIG 1 -2.825 -2.810 -1.738 0.00 0.00 +0.247 C ATOM 21 N LIG 1 -1.893 -3.595 -1.062 0.00 0.00 -0.293 N ATOM 22 C LIG 1 -0.982 -3.090 -0.038 0.00 0.00 +0.143 C ATOM 23 C LIG 1 0.447 -3.048 -0.537 0.00 0.00 -0.027 A ATOM 24 C LIG 1 0.858 -3.814 -1.643 0.00 0.00 -0.041 A ATOM 25 C LIG 1 2.195 -3.761 -2.052 0.00 0.00 +0.004 A ATOM 26 C LIG 1 3.115 -2.960 -1.369 0.00 0.00 +0.004 A ATOM 27 C LIG 1 2.720 -2.184 -0.268 0.00 0.00 -0.039 A ATOM 28 C LIG 1 3.745 -1.287 0.438 0.00 0.00 +0.060 C ATOM 29 C LIG 1 -0.146 -4.619 -2.441 0.00 0.00 +0.054 C ATOM 30 C LIG 1 1.383 -2.255 0.145 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -1.453 -4.842 -1.674 0.00 0.00 +0.113 C ATOM 32 O LIG 1 -3.384 -3.156 -2.776 0.00 0.00 -0.270 OA ATOM 33 C LIG 1 -2.678 -0.384 -1.939 0.00 0.00 +0.014 A ATOM 34 C LIG 1 -4.683 0.185 1.751 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -2.851 0.908 -1.458 0.00 0.00 +0.005 A ATOM 36 C LIG 1 2.248 2.767 0.582 0.00 0.00 +0.089 A ATOM 37 C LIG 1 2.893 2.301 -0.557 0.00 0.00 +0.030 A ATOM 38 C LIG 1 3.359 0.986 -0.505 0.00 0.00 +0.007 A ATOM 39 C LIG 1 3.224 0.152 0.636 0.00 0.00 -0.034 A ENDROOT BRANCH 28 40 ATOM 40 C LIG 1 4.389 -2.034 1.614 0.00 0.00 +0.133 C BRANCH 40 41 ATOM 41 C LIG 1 5.564 -1.305 2.200 0.00 0.00 +0.306 C ATOM 42 O LIG 1 5.772 -1.126 3.389 0.00 0.00 -0.251 OA BRANCH 41 43 ATOM 43 O LIG 1 6.470 -0.910 1.288 0.00 0.00 -0.481 OA ATOM 44 H LIG 1 7.171 -0.483 1.824 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 28 40 TORSDOF 3