REMARK Name = BDB011987 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.988 1.089 -0.741 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -2.246 0.471 -0.167 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -3.093 1.213 0.352 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -2.407 -0.914 -0.230 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.649 -1.789 -1.111 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.254 -1.702 -1.414 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.308 -2.740 -2.203 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.445 -3.771 -2.760 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -1.802 -3.808 -2.538 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.670 -0.695 -0.920 0.00 0.00 -0.263 N ATOM 11 C LIG 1 1.911 -0.453 -1.555 0.00 0.00 +0.251 C ATOM 12 O LIG 1 2.190 -0.715 -2.723 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -2.383 -2.834 -1.730 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.161 0.363 -0.057 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 2.991 0.153 -0.737 0.00 0.00 +0.044 A ATOM 16 C LIG 1 3.323 -0.401 0.502 0.00 0.00 +0.062 A ATOM 17 C LIG 1 4.337 0.182 1.257 0.00 0.00 +0.166 A ATOM 18 C LIG 1 5.055 1.274 0.748 0.00 0.00 +0.204 A ATOM 19 C LIG 1 4.707 1.843 -0.490 0.00 0.00 +0.166 A ATOM 20 C LIG 1 3.682 1.262 -1.240 0.00 0.00 +0.062 A BRANCH 17 21 ATOM 21 O LIG 1 4.629 -0.408 2.460 0.00 0.00 -0.491 OA ATOM 22 C LIG 1 4.283 0.451 3.549 0.00 0.00 +0.277 C ENDBRANCH 17 21 BRANCH 18 23 ATOM 23 O LIG 1 6.075 1.823 1.487 0.00 0.00 -0.488 OA ATOM 24 C LIG 1 7.310 1.198 1.137 0.00 0.00 +0.277 C ENDBRANCH 18 23 BRANCH 19 25 ATOM 25 O LIG 1 5.437 2.933 -0.889 0.00 0.00 -0.491 OA ATOM 26 C LIG 1 4.846 3.753 -1.892 0.00 0.00 +0.277 C ENDBRANCH 19 25 ENDBRANCH 11 15 BRANCH 1 28 ATOM 27 C LIG 1 -0.108 3.398 -0.999 0.00 0.00 +0.230 C ATOM 28 N LIG 1 -1.013 2.524 -0.442 0.00 0.00 -0.301 N ATOM 29 H LIG 1 -1.860 2.877 -0.004 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 0.832 3.018 -1.696 0.00 0.00 -0.274 OA BRANCH 27 31 ATOM 31 C LIG 1 -0.396 4.888 -0.712 0.00 0.00 +0.137 C ATOM 32 C LIG 1 -1.255 5.425 -1.857 0.00 0.00 +0.034 C BRANCH 31 34 ATOM 33 C LIG 1 0.774 7.016 -0.352 0.00 0.00 +0.101 C ATOM 34 N LIG 1 0.893 5.580 -0.530 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 1.491 5.369 -1.333 0.00 0.00 +0.122 HD ENDBRANCH 31 34 ENDBRANCH 27 31 ENDBRANCH 1 28 BRANCH 4 36 ATOM 36 C LIG 1 -3.644 -1.406 0.427 0.00 0.00 +0.149 C BRANCH 36 37 ATOM 37 C LIG 1 -3.590 -2.762 1.135 0.00 0.00 -0.019 A ATOM 38 C LIG 1 -4.609 -3.753 0.891 0.00 0.00 -0.013 A ATOM 39 C LIG 1 -4.503 -5.018 1.528 0.00 0.00 -0.018 A ATOM 40 C LIG 1 -5.460 -6.022 1.304 0.00 0.00 +0.008 A ATOM 41 C LIG 1 -6.548 -5.806 0.466 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -6.691 -4.578 -0.159 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -3.442 -5.279 2.395 0.00 0.00 +0.009 A ATOM 44 C LIG 1 -2.499 -4.300 2.680 0.00 0.00 +0.004 A ATOM 45 C LIG 1 -5.742 -3.572 0.053 0.00 0.00 +0.009 A ATOM 46 C LIG 1 -2.575 -3.033 2.090 0.00 0.00 -0.045 A ATOM 47 C LIG 1 -1.528 -2.033 2.497 0.00 0.00 +0.044 C ENDBRANCH 36 37 ENDBRANCH 4 36 TORSDOF 9