REMARK Name = BDB055687 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.497 0.621 -0.802 0.00 0.00 +0.120 C ATOM 2 C LIG 1 -1.578 -0.073 -0.023 0.00 0.00 -0.021 A ATOM 3 C LIG 1 -2.831 0.129 -0.609 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -3.976 -0.425 -0.056 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -3.870 -1.175 1.129 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -2.598 -1.365 1.713 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -2.721 0.920 -1.874 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.448 -0.810 1.144 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -1.304 1.503 -1.778 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 0.391 -1.528 -1.960 0.00 0.00 +0.111 A ATOM 11 N LIG 1 0.491 -0.234 -1.453 0.00 0.00 -0.316 N ATOM 12 C LIG 1 1.791 0.176 -1.683 0.00 0.00 +0.135 A ATOM 13 C LIG 1 2.409 -0.921 -2.212 0.00 0.00 +0.096 A ATOM 14 C LIG 1 3.778 -0.878 -2.543 0.00 0.00 +0.048 A ATOM 15 C LIG 1 4.460 0.262 -2.329 0.00 0.00 +0.091 A ATOM 16 N LIG 1 3.845 1.402 -1.788 0.00 0.00 -0.309 N ATOM 17 C LIG 1 2.467 1.433 -1.464 0.00 0.00 +0.277 A ATOM 18 O LIG 1 1.891 2.434 -1.047 0.00 0.00 -0.265 OA ATOM 19 N LIG 1 1.572 -1.962 -2.385 0.00 0.00 -0.232 NA BRANCH 10 21 ATOM 20 C LIG 1 -0.721 -3.559 -2.939 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -0.863 -2.344 -2.031 0.00 0.00 +0.071 C ENDBRANCH 10 21 BRANCH 16 22 ATOM 22 C LIG 1 4.628 2.628 -1.624 0.00 0.00 +0.160 C BRANCH 22 23 ATOM 23 C LIG 1 5.819 2.481 -0.694 0.00 0.00 -0.025 A ATOM 24 C LIG 1 5.676 2.337 0.704 0.00 0.00 -0.046 A ATOM 25 C LIG 1 4.330 2.312 1.375 0.00 0.00 +0.044 C ATOM 26 C LIG 1 6.826 2.182 1.498 0.00 0.00 +0.004 A ATOM 27 C LIG 1 8.099 2.190 0.929 0.00 0.00 +0.000 A ATOM 28 C LIG 1 8.243 2.347 -0.445 0.00 0.00 +0.000 A ATOM 29 C LIG 1 7.113 2.491 -1.249 0.00 0.00 +0.005 A ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 1 11 BRANCH 5 30 ATOM 30 C LIG 1 -5.072 -1.749 1.755 0.00 0.00 -0.007 A ATOM 31 C LIG 1 -5.637 -1.264 2.961 0.00 0.00 +0.028 A ATOM 32 C LIG 1 -6.766 -1.923 3.491 0.00 0.00 +0.012 A ATOM 33 C LIG 1 -7.341 -3.019 2.848 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -6.796 -3.485 1.660 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.672 -2.859 1.122 0.00 0.00 +0.009 A BRANCH 31 36 ATOM 36 C LIG 1 -5.133 -0.106 3.711 0.00 0.00 +0.180 A ATOM 37 N LIG 1 -4.415 0.945 3.206 0.00 0.00 -0.239 N ATOM 38 H LIG 1 -4.098 1.121 2.262 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -4.154 1.845 4.163 0.00 0.00 -0.046 NA ATOM 40 N LIG 1 -4.718 1.354 5.255 0.00 0.00 -0.023 NA ATOM 41 N LIG 1 -5.331 0.154 4.993 0.00 0.00 -0.108 NA ENDBRANCH 31 36 ENDBRANCH 5 30 TORSDOF 6