REMARK Name = BDB041363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.171 -1.386 -1.463 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.081 -2.708 -1.969 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.849 -3.628 -1.472 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.741 -4.901 -2.128 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.236 -4.926 -3.092 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.728 -3.212 -0.444 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.693 -1.903 0.059 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -1.034 -3.429 -3.224 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.741 -1.016 -0.450 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.178 -0.360 -1.955 0.00 0.00 +0.121 C BRANCH 10 19 ATOM 11 C LIG 1 -4.313 -0.697 0.204 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -4.674 0.672 0.452 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -4.295 1.658 -0.409 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -3.723 1.532 -1.675 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -3.342 2.611 -2.414 0.00 0.00 -0.213 NA ATOM 16 C LIG 1 -3.555 3.832 -1.900 0.00 0.00 +0.213 A ATOM 17 C LIG 1 -4.135 4.058 -0.669 0.00 0.00 +0.070 A ATOM 18 C LIG 1 -3.510 0.192 -2.334 0.00 0.00 +0.144 C ATOM 19 N LIG 1 -2.575 -0.717 -1.654 0.00 0.00 -0.289 NA ATOM 20 C LIG 1 -4.507 2.948 0.083 0.00 0.00 +0.053 A ATOM 21 C LIG 1 -2.830 -0.869 -0.210 0.00 0.00 +0.129 C BRANCH 11 23 ATOM 22 C LIG 1 -3.820 -0.993 2.716 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.620 -1.462 1.508 0.00 0.00 +0.042 C ENDBRANCH 11 23 BRANCH 16 24 ATOM 24 O LIG 1 -3.156 4.863 -2.695 0.00 0.00 -0.492 OA ATOM 25 H LIG 1 -3.385 5.692 -2.251 0.00 0.00 +0.294 HD ENDBRANCH 16 24 ENDBRANCH 10 19 ENDBRANCH 1 10 BRANCH 7 26 ATOM 26 C LIG 1 2.670 -1.490 1.159 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 3.322 -0.107 0.935 0.00 0.00 -0.034 A ATOM 28 C LIG 1 4.215 0.104 -0.166 0.00 0.00 -0.017 A ATOM 29 C LIG 1 4.554 -0.980 -1.154 0.00 0.00 +0.046 C ATOM 30 C LIG 1 4.774 1.393 -0.327 0.00 0.00 +0.116 A ATOM 31 N LIG 1 5.639 1.870 -1.282 0.00 0.00 -0.129 NA ATOM 32 N LIG 1 5.889 3.145 -1.022 0.00 0.00 -0.065 NA ATOM 33 N LIG 1 5.188 3.473 0.078 0.00 0.00 -0.247 N ATOM 34 C LIG 1 5.270 4.816 0.587 0.00 0.00 +0.175 C ATOM 35 C LIG 1 4.473 2.413 0.565 0.00 0.00 +0.089 A ATOM 36 C LIG 1 3.624 2.238 1.652 0.00 0.00 +0.030 A ATOM 37 C LIG 1 3.064 0.965 1.815 0.00 0.00 +0.007 A ENDBRANCH 26 27 BRANCH 26 38 ATOM 38 C LIG 1 2.113 -1.820 2.561 0.00 0.00 +0.133 C BRANCH 38 39 ATOM 39 C LIG 1 0.647 -1.554 2.778 0.00 0.00 +0.306 C ATOM 40 O LIG 1 -0.215 -2.403 2.940 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 0.325 -0.251 2.846 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 -0.642 -0.259 3.006 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 26 38 ENDBRANCH 7 26 TORSDOF 9