REMARK Name = BDB006347 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.524 -1.682 -1.928 0.00 0.00 -0.342 N ATOM 2 C LIG 1 -0.545 -1.373 -1.107 0.00 0.00 +0.049 A ATOM 3 C LIG 1 -0.934 -2.565 -0.485 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -2.009 -2.546 0.425 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.678 -1.341 0.682 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -2.264 -0.159 0.061 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.079 -3.594 -0.963 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -1.196 -0.156 -0.844 0.00 0.00 +0.027 A ATOM 9 C LIG 1 0.799 -3.027 -1.856 0.00 0.00 +0.087 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.813 -1.364 1.646 0.00 0.00 +0.245 C ATOM 11 N LIG 1 -4.804 -0.426 1.442 0.00 0.00 -0.305 N ATOM 12 H LIG 1 -4.827 0.068 0.561 0.00 0.00 +0.150 HD ATOM 13 O LIG 1 -3.853 -2.205 2.536 0.00 0.00 -0.270 OA BRANCH 11 14 ATOM 14 C LIG 1 -6.009 -0.409 2.256 0.00 0.00 +0.100 C ATOM 15 C LIG 1 -5.736 0.155 3.654 0.00 0.00 +0.033 C BRANCH 14 16 ATOM 16 C LIG 1 -7.101 0.364 1.531 0.00 0.00 -0.027 A ATOM 17 C LIG 1 -7.024 1.757 1.356 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -8.028 2.448 0.672 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -9.118 1.743 0.149 0.00 0.00 +0.126 A ATOM 20 C LIG 1 -9.207 0.355 0.304 0.00 0.00 +0.033 A ATOM 21 C LIG 1 -8.199 -0.327 0.990 0.00 0.00 +0.007 A BRANCH 19 22 ATOM 22 N LIG 1 -10.173 2.465 -0.573 0.00 0.00 +0.056 N ATOM 23 O LIG 1 -11.133 1.808 -1.001 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 -10.041 3.690 -0.714 0.00 0.00 -0.126 OA ENDBRANCH 19 22 ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 5 10 BRANCH 1 25 ATOM 25 C LIG 1 1.239 -0.753 -2.797 0.00 0.00 +0.157 C BRANCH 25 29 ATOM 26 C LIG 1 5.152 0.290 -1.219 0.00 0.00 -0.018 A ATOM 27 C LIG 1 3.979 0.730 -0.588 0.00 0.00 +0.009 A ATOM 28 C LIG 1 2.718 0.395 -1.092 0.00 0.00 +0.006 A ATOM 29 C LIG 1 2.596 -0.392 -2.245 0.00 0.00 -0.028 A ATOM 30 C LIG 1 3.763 -0.835 -2.880 0.00 0.00 +0.006 A ATOM 31 C LIG 1 5.022 -0.498 -2.372 0.00 0.00 +0.009 A BRANCH 26 35 ATOM 32 C LIG 1 9.032 1.317 0.335 0.00 0.00 +0.008 A ATOM 33 C LIG 1 8.684 -0.019 0.125 0.00 0.00 +0.015 A ATOM 34 C LIG 1 7.423 -0.352 -0.384 0.00 0.00 +0.009 A ATOM 35 C LIG 1 6.478 0.641 -0.685 0.00 0.00 -0.018 A ATOM 36 C LIG 1 6.835 1.979 -0.454 0.00 0.00 +0.009 A ATOM 37 C LIG 1 8.095 2.313 0.054 0.00 0.00 +0.015 A BRANCH 32 39 ATOM 38 C LIG 1 11.713 0.985 -0.211 0.00 0.00 +0.090 C ATOM 39 S LIG 1 10.621 1.783 0.996 0.00 0.00 -0.129 S ENDBRANCH 32 39 ENDBRANCH 26 35 ENDBRANCH 25 29 ENDBRANCH 1 25 TORSDOF 8