REMARK Name = BDB027073 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.105 -1.648 1.774 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.677 -2.717 2.772 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.181 -2.388 4.045 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.199 -3.389 4.941 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.075 -4.730 4.585 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.436 -5.073 3.336 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.816 -4.074 2.437 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.113 -0.450 1.742 0.00 0.00 +0.186 C ATOM 9 O LIG 1 0.374 0.593 2.353 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 -4.389 1.938 -0.041 0.00 0.00 -0.013 A ATOM 11 C LIG 1 -4.276 0.593 -0.429 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -3.143 -0.127 -0.019 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -2.127 0.433 0.754 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -1.136 -0.584 0.978 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -1.595 -1.721 0.334 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -2.255 1.784 1.136 0.00 0.00 +0.011 A ATOM 17 N LIG 1 -2.800 -1.436 -0.252 0.00 0.00 -0.360 N ATOM 18 H LIG 1 -3.363 -2.091 -0.779 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -3.381 2.519 0.737 0.00 0.00 +0.009 A BRANCH 10 24 ATOM 20 C LIG 1 -8.246 3.756 -2.590 0.00 0.00 +0.172 C ATOM 21 N LIG 1 -7.245 3.519 -1.579 0.00 0.00 -0.274 N ATOM 22 N LIG 1 -7.223 4.290 -0.478 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 -6.187 3.811 0.216 0.00 0.00 +0.142 A ATOM 24 C LIG 1 -5.545 2.728 -0.431 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -6.264 2.570 -1.600 0.00 0.00 +0.116 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 2.480 -1.190 2.115 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 2.371 -0.538 2.899 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.137 -0.473 1.016 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 3.716 -1.422 -0.044 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 4.439 -0.665 -1.133 0.00 0.00 -0.046 A ATOM 31 C LIG 1 3.739 -0.184 -2.247 0.00 0.00 +0.004 A ATOM 32 C LIG 1 4.405 0.527 -3.247 0.00 0.00 +0.013 A ATOM 33 C LIG 1 5.778 0.779 -3.140 0.00 0.00 +0.037 A ATOM 34 C LIG 1 6.484 0.295 -2.032 0.00 0.00 +0.013 A ATOM 35 C LIG 1 5.815 -0.418 -1.033 0.00 0.00 +0.004 A BRANCH 33 36 ATOM 36 C LIG 1 6.442 1.541 -4.231 0.00 0.00 +0.242 C ATOM 37 O LIG 1 5.950 1.628 -5.349 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 7.613 2.183 -3.931 0.00 0.00 -0.325 N ATOM 39 H LIG 1 7.968 2.800 -4.650 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 7.883 2.380 -2.979 0.00 0.00 +0.145 HD ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9