REMARK Name = BDB039515 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.745 2.462 1.128 0.00 0.00 -0.021 A ATOM 2 C LIG 1 -1.533 3.776 0.670 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.304 4.072 0.096 0.00 0.00 +0.139 A ATOM 4 N LIG 1 -0.313 5.389 -0.274 0.00 0.00 -0.346 N ATOM 5 H LIG 1 0.465 5.847 -0.724 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 -1.520 5.955 0.046 0.00 0.00 +0.085 A ATOM 7 N LIG 1 0.739 3.246 -0.092 0.00 0.00 -0.229 NA ATOM 8 C LIG 1 0.515 1.975 0.324 0.00 0.00 +0.074 A ATOM 9 C LIG 1 -2.298 4.978 0.630 0.00 0.00 +0.029 A ATOM 10 C LIG 1 -0.677 1.563 0.931 0.00 0.00 +0.034 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 1.642 1.039 0.098 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.975 1.492 0.218 0.00 0.00 +0.016 A ATOM 13 C LIG 1 4.020 0.606 0.009 0.00 0.00 -0.017 A ATOM 14 C LIG 1 5.491 0.841 0.058 0.00 0.00 +0.144 C ATOM 15 N LIG 1 6.034 -0.491 -0.176 0.00 0.00 -0.282 N ATOM 16 C LIG 1 5.045 -1.407 -0.489 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.172 -2.555 -0.863 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.761 -0.718 -0.325 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.481 -1.210 -0.470 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.421 -0.320 -0.257 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 7.469 -0.703 -0.333 0.00 0.00 +0.163 C ATOM 22 C LIG 1 7.825 -0.857 -1.811 0.00 0.00 +0.240 C ATOM 23 O LIG 1 7.648 0.048 -2.627 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 8.311 -2.075 -2.213 0.00 0.00 -0.255 N ATOM 25 H LIG 1 8.525 -2.160 -3.197 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 8.448 -3.224 -1.481 0.00 0.00 +0.219 C ATOM 27 O LIG 1 8.885 -4.248 -2.004 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.026 -3.183 -0.035 0.00 0.00 +0.098 C ATOM 29 C LIG 1 8.077 -1.786 0.555 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 8 11 BRANCH 1 30 ATOM 30 C LIG 1 -3.026 1.991 1.775 0.00 0.00 +0.120 C BRANCH 30 33 ATOM 31 C LIG 1 -5.168 0.346 -0.710 0.00 0.00 +0.013 C ATOM 32 C LIG 1 -3.804 0.566 -0.064 0.00 0.00 +0.088 C ATOM 33 N LIG 1 -4.088 1.714 0.805 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -5.361 1.401 1.462 0.00 0.00 +0.085 C ATOM 35 C LIG 1 -6.140 0.561 0.449 0.00 0.00 +0.020 C BRANCH 31 36 ATOM 36 C LIG 1 -5.304 -0.957 -1.494 0.00 0.00 +0.100 C BRANCH 36 39 ATOM 37 C LIG 1 -5.988 -4.165 0.488 0.00 0.00 +0.131 C ATOM 38 N LIG 1 -6.212 -2.894 -0.184 0.00 0.00 -0.308 N ATOM 39 C LIG 1 -5.097 -2.217 -0.666 0.00 0.00 +0.215 C ATOM 40 O LIG 1 -3.947 -2.591 -0.423 0.00 0.00 -0.276 OA ATOM 41 C LIG 1 -7.571 -2.656 -0.646 0.00 0.00 +0.131 C ENDBRANCH 36 39 ENDBRANCH 31 36 ENDBRANCH 30 33 ENDBRANCH 1 30 TORSDOF 6