REMARK Name = BDB034406 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.821 -0.083 -0.590 0.00 0.00 -0.045 A ATOM 2 C LIG 1 3.809 -1.482 -0.506 0.00 0.00 +0.032 A ATOM 3 C LIG 1 2.671 -2.236 -0.761 0.00 0.00 +0.073 A ATOM 4 C LIG 1 1.465 -1.579 -1.103 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.307 -2.382 -1.330 0.00 0.00 +0.038 A ATOM 6 C LIG 1 0.464 -3.769 -1.298 0.00 0.00 +0.043 A ATOM 7 C LIG 1 1.691 -4.304 -0.960 0.00 0.00 +0.113 A ATOM 8 C LIG 1 1.486 -0.164 -1.196 0.00 0.00 +0.012 A ATOM 9 N LIG 1 2.780 -3.569 -0.674 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 2.644 0.573 -0.939 0.00 0.00 +0.004 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 -0.912 -1.791 -1.698 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -1.011 -0.840 -1.352 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -2.191 -2.494 -1.618 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -2.640 -2.767 -0.179 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -2.734 -1.525 0.716 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -3.547 -0.435 0.172 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -3.427 0.387 0.767 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -4.980 -0.755 0.161 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 -5.793 0.409 -0.340 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -6.856 0.929 0.381 0.00 0.00 +0.171 A ATOM 21 O LIG 1 -7.289 0.498 1.599 0.00 0.00 -0.452 OA ATOM 22 C LIG 1 -8.391 1.396 1.837 0.00 0.00 +0.466 C ATOM 23 O LIG 1 -8.603 2.339 0.769 0.00 0.00 -0.453 OA ATOM 24 C LIG 1 -7.612 1.980 -0.090 0.00 0.00 +0.167 A ATOM 25 C LIG 1 -7.360 2.575 -1.308 0.00 0.00 +0.049 A ATOM 26 C LIG 1 -6.302 2.074 -2.067 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -5.528 1.000 -1.590 0.00 0.00 +0.009 A ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 28 ATOM 28 C LIG 1 5.078 0.692 -0.287 0.00 0.00 +0.040 C BRANCH 28 29 ATOM 29 C LIG 1 5.196 1.016 1.205 0.00 0.00 +0.040 C BRANCH 29 33 ATOM 30 C LIG 1 8.796 3.242 2.026 0.00 0.00 +0.000 A ATOM 31 C LIG 1 8.815 1.849 2.058 0.00 0.00 +0.000 A ATOM 32 C LIG 1 7.649 1.128 1.797 0.00 0.00 +0.003 A ATOM 33 C LIG 1 6.451 1.796 1.507 0.00 0.00 -0.047 A ATOM 34 C LIG 1 6.444 3.197 1.472 0.00 0.00 +0.003 A ATOM 35 C LIG 1 7.612 3.916 1.733 0.00 0.00 +0.000 A ENDBRANCH 29 33 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 10