REMARK Name = BDB028135 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.647 0.909 3.260 0.00 0.00 +0.046 C ATOM 2 C LIG 1 3.224 1.369 1.893 0.00 0.00 -0.017 A ATOM 3 C LIG 1 2.613 2.629 1.713 0.00 0.00 +0.116 A ATOM 4 N LIG 1 2.302 3.603 2.630 0.00 0.00 -0.129 NA ATOM 5 N LIG 1 1.677 4.588 1.999 0.00 0.00 -0.065 NA ATOM 6 N LIG 1 1.577 4.233 0.705 0.00 0.00 -0.244 N ATOM 7 C LIG 1 0.775 5.024 -0.206 0.00 0.00 +0.146 C ATOM 8 C LIG 1 -0.549 4.343 -0.571 0.00 0.00 +0.023 C ATOM 9 C LIG 1 -1.557 4.322 0.585 0.00 0.00 +0.002 C ATOM 10 C LIG 1 -2.641 3.249 0.425 0.00 0.00 +0.000 C ATOM 11 C LIG 1 -3.442 3.366 -0.873 0.00 0.00 +0.005 C ATOM 12 C LIG 1 -4.585 2.346 -0.972 0.00 0.00 +0.036 C ATOM 13 C LIG 1 -4.119 0.899 -1.009 0.00 0.00 -0.040 A ATOM 14 C LIG 1 -4.279 -0.012 0.082 0.00 0.00 -0.014 A ATOM 15 C LIG 1 -3.833 -1.357 -0.064 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -4.046 -2.270 0.998 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -4.641 -1.880 2.195 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -5.043 -0.566 2.358 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -3.196 -1.732 -1.272 0.00 0.00 +0.045 A ATOM 20 C LIG 1 -2.665 -3.094 -1.510 0.00 0.00 +0.247 C ATOM 21 N LIG 1 -1.556 -3.528 -0.790 0.00 0.00 -0.293 N ATOM 22 C LIG 1 -0.734 -2.693 0.087 0.00 0.00 +0.143 C ATOM 23 C LIG 1 0.745 -2.780 -0.238 0.00 0.00 -0.027 A ATOM 24 C LIG 1 1.246 -3.713 -1.162 0.00 0.00 -0.041 A ATOM 25 C LIG 1 2.611 -3.714 -1.465 0.00 0.00 +0.004 A ATOM 26 C LIG 1 3.485 -2.817 -0.840 0.00 0.00 +0.004 A ATOM 27 C LIG 1 3.017 -1.903 0.113 0.00 0.00 -0.039 A ATOM 28 C LIG 1 3.918 -0.893 0.846 0.00 0.00 +0.060 C ATOM 29 C LIG 1 0.314 -4.674 -1.863 0.00 0.00 +0.054 C ATOM 30 C LIG 1 1.638 -1.916 0.413 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -0.993 -4.839 -1.088 0.00 0.00 +0.113 C ATOM 32 O LIG 1 -3.222 -3.772 -2.371 0.00 0.00 -0.270 OA ATOM 33 C LIG 1 -3.053 -0.837 -2.333 0.00 0.00 +0.014 A ATOM 34 C LIG 1 -4.867 0.350 1.318 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -3.513 0.465 -2.202 0.00 0.00 +0.005 A ATOM 36 C LIG 1 2.203 3.041 0.452 0.00 0.00 +0.089 A ATOM 37 C LIG 1 2.406 2.289 -0.703 0.00 0.00 +0.030 A ATOM 38 C LIG 1 3.005 1.040 -0.533 0.00 0.00 +0.007 A ATOM 39 C LIG 1 3.375 0.547 0.738 0.00 0.00 -0.034 A ENDROOT BRANCH 28 40 ATOM 40 C LIG 1 5.404 -0.874 0.452 0.00 0.00 +0.133 C BRANCH 40 41 ATOM 41 C LIG 1 6.133 -2.061 1.015 0.00 0.00 +0.306 C ATOM 42 O LIG 1 6.026 -2.519 2.139 0.00 0.00 -0.251 OA BRANCH 41 43 ATOM 43 O LIG 1 7.004 -2.596 0.138 0.00 0.00 -0.481 OA ATOM 44 H LIG 1 7.425 -3.329 0.638 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 28 40 TORSDOF 3