REMARK Name = BDB007114 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.550 -3.485 -1.458 0.00 0.00 +0.046 C ATOM 2 C LIG 1 2.587 -1.999 -1.561 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.490 -1.141 -1.881 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.961 0.174 -1.869 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.120 1.264 -2.156 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.221 1.009 -2.454 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.721 -0.293 -2.459 0.00 0.00 +0.037 A ATOM 8 N LIG 1 3.305 0.120 -1.541 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.130 -1.375 -2.187 0.00 0.00 +0.023 A ATOM 10 C LIG 1 3.700 -1.193 -1.365 0.00 0.00 +0.020 A ATOM 11 C LIG 1 5.094 -1.585 -1.008 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.161 -0.497 -2.779 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -2.759 -1.598 -2.200 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -2.285 -2.028 -1.418 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.751 0.306 -3.493 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.199 -1.797 -2.264 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -4.504 -3.271 -2.540 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -4.838 -1.256 -0.995 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -5.253 0.082 -0.959 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -5.823 0.635 0.195 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -5.990 -0.125 1.361 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -5.555 -1.463 1.321 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -4.984 -2.018 0.168 0.00 0.00 +0.006 A BRANCH 21 24 ATOM 24 C LIG 1 -6.611 0.448 2.646 0.00 0.00 -0.013 C ATOM 25 C LIG 1 -7.044 1.927 2.525 0.00 0.00 +0.015 C ATOM 26 C LIG 1 -7.868 -0.365 3.024 0.00 0.00 +0.015 C ATOM 27 C LIG 1 -5.587 0.366 3.798 0.00 0.00 +0.015 C ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 4.186 1.287 -1.458 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 4.536 1.664 -0.036 0.00 0.00 -0.024 A ATOM 30 C LIG 1 5.884 1.832 0.335 0.00 0.00 +0.051 A ATOM 31 C LIG 1 6.224 2.206 1.638 0.00 0.00 +0.122 A ATOM 32 C LIG 1 5.211 2.425 2.572 0.00 0.00 +0.045 A ATOM 33 C LIG 1 3.872 2.274 2.217 0.00 0.00 +0.004 A ATOM 34 C LIG 1 3.535 1.899 0.918 0.00 0.00 +0.005 A BRANCH 31 35 ATOM 35 O LIG 1 7.489 2.394 2.120 0.00 0.00 -0.481 OA BRANCH 35 36 ATOM 36 C LIG 1 8.573 2.132 1.243 0.00 0.00 +0.349 C BRANCH 36 37 ATOM 37 C LIG 1 9.911 2.355 1.942 0.00 0.00 +0.343 C ATOM 38 O LIG 1 10.064 2.712 3.099 0.00 0.00 -0.247 OA BRANCH 37 39 ATOM 39 O LIG 1 10.972 2.111 1.128 0.00 0.00 -0.478 OA ATOM 40 H LIG 1 10.740 1.831 0.223 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 10