REMARK Name = BDB028118 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.747 0.669 3.258 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -2.410 1.089 1.855 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -1.513 2.165 1.631 0.00 0.00 +0.116 A ATOM 4 N LIG 1 -0.851 2.967 2.533 0.00 0.00 -0.129 NA ATOM 5 N LIG 1 -0.041 3.774 1.862 0.00 0.00 -0.065 NA ATOM 6 N LIG 1 -0.157 3.466 0.554 0.00 0.00 -0.244 N ATOM 7 C LIG 1 0.727 4.089 -0.415 0.00 0.00 +0.146 C ATOM 8 C LIG 1 2.223 3.869 -0.118 0.00 0.00 +0.023 C ATOM 9 C LIG 1 2.997 3.386 -1.349 0.00 0.00 +0.002 C ATOM 10 C LIG 1 4.497 3.124 -1.111 0.00 0.00 +0.005 C ATOM 11 C LIG 1 4.869 2.014 -0.103 0.00 0.00 +0.037 C ATOM 12 C LIG 1 4.155 0.708 -0.374 0.00 0.00 -0.023 A ATOM 13 C LIG 1 3.034 0.254 0.353 0.00 0.00 +0.053 A ATOM 14 C LIG 1 2.114 -0.664 -0.196 0.00 0.00 +0.012 A ATOM 15 C LIG 1 0.936 -0.484 0.571 0.00 0.00 +0.028 A ATOM 16 C LIG 1 1.253 0.186 1.723 0.00 0.00 +0.086 A ATOM 17 C LIG 1 2.456 -1.379 -1.364 0.00 0.00 +0.046 A ATOM 18 C LIG 1 1.607 -2.354 -2.103 0.00 0.00 +0.248 C ATOM 19 N LIG 1 1.122 -3.544 -1.523 0.00 0.00 -0.293 N ATOM 20 C LIG 1 0.355 -3.580 -0.281 0.00 0.00 +0.143 C ATOM 21 C LIG 1 -1.104 -3.256 -0.576 0.00 0.00 -0.027 A ATOM 22 C LIG 1 -1.657 -3.603 -1.826 0.00 0.00 -0.041 A ATOM 23 C LIG 1 -2.967 -3.222 -2.133 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -3.694 -2.417 -1.255 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -3.144 -2.017 -0.028 0.00 0.00 -0.039 A ATOM 26 C LIG 1 -3.759 -0.891 0.832 0.00 0.00 +0.060 C ATOM 27 C LIG 1 -0.811 -4.245 -2.908 0.00 0.00 +0.054 C ATOM 28 C LIG 1 -1.888 -2.538 0.341 0.00 0.00 +0.009 A ATOM 29 C LIG 1 0.625 -4.548 -2.464 0.00 0.00 +0.113 C ATOM 30 O LIG 1 1.518 -2.163 -3.321 0.00 0.00 -0.270 OA ATOM 31 C LIG 1 3.680 -1.060 -1.987 0.00 0.00 +0.014 A ATOM 32 N LIG 1 2.552 0.583 1.609 0.00 0.00 -0.349 N ATOM 33 C LIG 1 3.282 1.194 2.698 0.00 0.00 +0.149 C ATOM 34 C LIG 1 4.484 -0.021 -1.528 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -1.125 2.516 0.344 0.00 0.00 +0.089 A ATOM 36 C LIG 1 -1.654 1.908 -0.792 0.00 0.00 +0.030 A ATOM 37 C LIG 1 -2.558 0.861 -0.579 0.00 0.00 +0.007 A ATOM 38 C LIG 1 -2.908 0.398 0.712 0.00 0.00 -0.034 A ENDROOT BRANCH 26 39 ATOM 39 C LIG 1 -5.242 -0.619 0.528 0.00 0.00 +0.133 C BRANCH 39 40 ATOM 40 C LIG 1 -5.914 0.137 1.642 0.00 0.00 +0.306 C ATOM 41 O LIG 1 -6.130 1.338 1.626 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 -6.272 -0.648 2.684 0.00 0.00 -0.481 OA ATOM 43 H LIG 1 -6.082 -1.597 2.567 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 26 39 TORSDOF 3