REMARK Name = BDB053196 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.169 -1.013 0.582 0.00 0.00 +0.183 A ATOM 2 N LIG 1 -2.305 -1.759 1.366 0.00 0.00 -0.317 N ATOM 3 C LIG 1 -2.667 -3.087 1.274 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -3.753 -3.084 0.409 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -4.382 -4.294 0.080 0.00 0.00 +0.030 A ATOM 6 C LIG 1 -3.893 -5.481 0.638 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -2.799 -5.463 1.504 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.160 -4.264 1.842 0.00 0.00 +0.028 A ATOM 9 N LIG 1 -4.045 -1.813 -0.006 0.00 0.00 -0.224 NA ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -3.131 0.432 0.380 0.00 0.00 +0.228 C ATOM 11 O LIG 1 -2.247 1.156 0.842 0.00 0.00 -0.283 OA BRANCH 10 16 ATOM 12 C LIG 1 -7.132 3.230 -2.770 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -6.114 2.513 -1.933 0.00 0.00 -0.050 A ATOM 14 C LIG 1 -4.779 2.933 -1.926 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.826 2.244 -1.172 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -4.188 1.111 -0.429 0.00 0.00 +0.025 A ATOM 17 C LIG 1 -5.523 0.693 -0.434 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -6.476 1.384 -1.190 0.00 0.00 +0.004 A ENDBRANCH 10 16 ENDBRANCH 1 10 BRANCH 2 19 ATOM 19 C LIG 1 -1.196 -1.255 2.163 0.00 0.00 +0.151 C BRANCH 19 20 ATOM 20 C LIG 1 0.092 -1.271 1.391 0.00 0.00 -0.005 C ATOM 21 C LIG 1 0.802 -0.169 1.100 0.00 0.00 +0.005 C BRANCH 21 22 ATOM 22 C LIG 1 2.066 -0.180 0.351 0.00 0.00 -0.022 A ATOM 23 C LIG 1 3.075 0.726 0.707 0.00 0.00 +0.053 A ATOM 24 C LIG 1 4.293 0.778 0.016 0.00 0.00 +0.123 A ATOM 25 C LIG 1 4.488 -0.077 -1.063 0.00 0.00 +0.046 A ATOM 26 C LIG 1 3.485 -0.974 -1.442 0.00 0.00 +0.004 A ATOM 27 C LIG 1 2.279 -1.024 -0.742 0.00 0.00 +0.008 A BRANCH 24 28 ATOM 28 O LIG 1 5.154 1.712 0.501 0.00 0.00 -0.475 OA BRANCH 28 29 ATOM 29 C LIG 1 6.535 1.830 0.126 0.00 0.00 +0.200 C ATOM 30 C LIG 1 7.354 0.548 0.315 0.00 0.00 +0.067 C ATOM 31 C LIG 1 6.689 2.443 -1.270 0.00 0.00 +0.067 C BRANCH 29 32 ATOM 32 C LIG 1 7.098 2.846 1.139 0.00 0.00 +0.348 C ATOM 33 O LIG 1 7.763 3.842 0.890 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 6.829 2.541 2.430 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 7.223 3.281 2.936 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 19 20 ENDBRANCH 2 19 TORSDOF 9