REMARK Name = BDB014304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.054 -1.034 1.886 0.00 0.00 +0.011 A ATOM 2 C LIG 1 -0.549 0.233 1.736 0.00 0.00 +0.125 A ATOM 3 C LIG 1 -0.837 1.008 2.864 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -0.541 0.532 4.143 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.046 -0.718 4.302 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.343 -1.494 3.182 0.00 0.00 +0.009 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 0.364 -1.848 0.642 0.00 0.00 +0.146 C BRANCH 7 9 ATOM 8 C LIG 1 0.103 -4.271 1.121 0.00 0.00 +0.132 C ATOM 9 N LIG 1 0.999 -3.149 0.884 0.00 0.00 -0.296 N ATOM 10 C LIG 1 2.325 -3.442 0.562 0.00 0.00 +0.247 C ATOM 11 O LIG 1 2.768 -4.586 0.488 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 3.264 -2.335 0.274 0.00 0.00 +0.037 A ATOM 13 C LIG 1 3.912 -2.310 -0.962 0.00 0.00 +0.014 A ATOM 14 C LIG 1 4.810 -1.278 -1.255 0.00 0.00 +0.012 A ATOM 15 C LIG 1 5.085 -0.269 -0.317 0.00 0.00 +0.017 A ATOM 16 C LIG 1 4.443 -0.328 0.931 0.00 0.00 +0.012 A ATOM 17 C LIG 1 3.544 -1.358 1.231 0.00 0.00 +0.014 A BRANCH 15 18 ATOM 18 C LIG 1 6.020 0.813 -0.621 0.00 0.00 +0.135 A ATOM 19 O LIG 1 6.560 0.816 -1.878 0.00 0.00 -0.463 OA ATOM 20 C LIG 1 7.391 1.885 -1.963 0.00 0.00 +0.196 A ATOM 21 C LIG 1 7.400 2.582 -0.780 0.00 0.00 +0.042 A ATOM 22 C LIG 1 6.516 1.893 0.087 0.00 0.00 +0.050 A ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 23 ATOM 23 O LIG 1 -0.798 0.618 0.444 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 -1.564 1.805 0.241 0.00 0.00 +0.229 C BRANCH 24 25 ATOM 25 C LIG 1 -1.831 1.967 -1.255 0.00 0.00 +0.041 C BRANCH 25 26 ATOM 26 C LIG 1 -2.492 0.761 -1.928 0.00 0.00 +0.004 C BRANCH 26 27 ATOM 27 C LIG 1 -3.792 0.215 -1.316 0.00 0.00 +0.017 C BRANCH 27 28 ATOM 28 C LIG 1 -5.088 1.056 -1.448 0.00 0.00 +0.062 C ATOM 29 C LIG 1 -6.290 0.148 -1.099 0.00 0.00 +0.022 C ATOM 30 C LIG 1 -5.134 2.236 -0.466 0.00 0.00 +0.022 C BRANCH 28 31 ATOM 31 C LIG 1 -5.270 1.503 -2.895 0.00 0.00 +0.310 C ATOM 32 O LIG 1 -5.647 0.805 -3.823 0.00 0.00 -0.250 OA BRANCH 31 33 ATOM 33 O LIG 1 -4.920 2.782 -3.127 0.00 0.00 -0.480 OA ATOM 34 H LIG 1 -5.069 2.893 -4.089 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 12