REMARK Name = BDB038970 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.653 0.818 1.422 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.497 1.198 0.763 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.358 0.290 0.839 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.236 0.607 -0.117 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.269 1.743 -0.959 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.220 2.007 -1.851 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.097 1.178 -1.925 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.066 0.069 -1.073 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.858 -0.933 -0.862 0.00 0.00 -0.326 N ATOM 10 C LIG 1 -0.360 -1.780 0.109 0.00 0.00 +0.116 A ATOM 11 N LIG 1 0.814 -1.355 0.530 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 3.475 2.650 -0.939 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.097 -0.221 -0.187 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.215 2.579 0.394 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.822 -0.285 1.929 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.044 -3.022 0.602 0.00 0.00 +0.081 C ATOM 17 C LIG 1 -0.924 -3.154 2.126 0.00 0.00 +0.171 C ATOM 18 O LIG 1 -1.573 -4.348 2.579 0.00 0.00 -0.379 OA ATOM 19 C LIG 1 -0.955 -5.520 2.049 0.00 0.00 +0.160 C ATOM 20 C LIG 1 -1.057 -5.539 0.529 0.00 0.00 +0.029 C ATOM 21 C LIG 1 -0.458 -4.270 -0.072 0.00 0.00 +0.016 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 7.801 1.445 2.114 0.00 0.00 +0.282 C ATOM 23 O LIG 1 6.591 1.805 1.447 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.101 -1.099 -1.595 0.00 0.00 +0.143 C BRANCH 24 25 ATOM 25 C LIG 1 -3.357 -0.600 -0.856 0.00 0.00 +0.147 C BRANCH 25 26 ATOM 26 C LIG 1 -3.501 0.917 -0.830 0.00 0.00 -0.032 A ATOM 27 C LIG 1 -4.311 1.641 -1.716 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -4.373 3.038 -1.657 0.00 0.00 +0.003 A ATOM 29 C LIG 1 -3.639 3.747 -0.702 0.00 0.00 -0.050 A ATOM 30 C LIG 1 -3.683 5.245 -0.663 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -2.831 3.038 0.186 0.00 0.00 +0.003 A ATOM 32 C LIG 1 -2.772 1.643 0.130 0.00 0.00 +0.005 A ENDBRANCH 25 26 BRANCH 25 33 ATOM 33 C LIG 1 -4.565 -1.350 -1.392 0.00 0.00 +0.314 C ATOM 34 O LIG 1 -5.345 -1.963 -0.677 0.00 0.00 -0.250 OA BRANCH 33 35 ATOM 35 O LIG 1 -4.723 -1.323 -2.737 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -4.098 -0.766 -3.237 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 25 33 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 7