REMARK Name = BDB002885 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.324 -3.884 0.073 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.544 -2.931 0.911 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.059 -1.797 1.614 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.010 -1.182 2.269 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.169 -0.033 3.059 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.457 0.497 3.179 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.541 -0.090 2.525 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.147 -1.914 1.968 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.353 -1.245 1.751 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.821 -2.985 1.156 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.829 -3.966 0.660 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.885 0.530 2.691 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.791 0.313 1.674 0.00 0.00 -0.305 N ATOM 14 H LIG 1 4.439 -0.007 0.779 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 4.135 1.222 3.672 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.076 1.016 1.639 0.00 0.00 +0.115 C ATOM 17 C LIG 1 5.923 2.450 1.124 0.00 0.00 +0.064 C ATOM 18 C LIG 1 5.786 2.474 -0.375 0.00 0.00 -0.004 A ATOM 19 C LIG 1 6.148 1.366 -1.149 0.00 0.00 +0.124 A ATOM 20 C LIG 1 6.001 1.397 -2.535 0.00 0.00 +0.046 A ATOM 21 C LIG 1 5.519 2.545 -3.163 0.00 0.00 +0.004 A ATOM 22 C LIG 1 5.179 3.662 -2.403 0.00 0.00 +0.000 A ATOM 23 O LIG 1 6.614 0.191 -0.621 0.00 0.00 -0.490 OA ATOM 24 C LIG 1 5.313 3.628 -1.014 0.00 0.00 +0.007 A ATOM 25 C LIG 1 7.069 0.282 0.737 0.00 0.00 +0.251 C ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 -2.484 -1.621 2.487 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -3.398 -1.013 1.449 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -3.031 0.136 0.734 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -3.895 0.694 -0.213 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -5.151 0.123 -0.467 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -5.524 -1.013 0.265 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.661 -1.573 1.212 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -6.059 0.709 -1.466 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -5.780 0.733 -2.847 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -6.645 1.378 -3.746 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -7.816 1.977 -3.286 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -8.122 1.942 -1.929 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.252 1.319 -1.029 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -4.576 0.111 -3.432 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -3.828 0.633 -4.236 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -4.433 -1.168 -3.047 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -3.610 -1.465 -3.486 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 7