REMARK Name = BDB032951 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.410 0.280 0.207 0.00 0.00 +0.028 A ATOM 2 C LIG 1 2.655 -0.844 -0.170 0.00 0.00 +0.032 A ATOM 3 C LIG 1 1.242 -0.848 -0.187 0.00 0.00 -0.004 A ATOM 4 C LIG 1 0.580 0.324 0.231 0.00 0.00 +0.045 A ATOM 5 C LIG 1 1.319 1.447 0.626 0.00 0.00 +0.015 A ATOM 6 C LIG 1 2.716 1.414 0.633 0.00 0.00 +0.024 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.542 -2.057 -0.658 0.00 0.00 -0.017 A ATOM 8 C LIG 1 0.694 -3.282 0.014 0.00 0.00 +0.008 A ATOM 9 C LIG 1 0.003 -4.421 -0.406 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -0.846 -4.354 -1.508 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -1.000 -3.152 -2.194 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -0.307 -2.013 -1.776 0.00 0.00 +0.008 A ENDBRANCH 3 7 BRANCH 4 13 ATOM 13 C LIG 1 -0.903 0.461 0.291 0.00 0.00 +0.250 C ATOM 14 N LIG 1 -1.553 -0.579 0.913 0.00 0.00 -0.261 N ATOM 15 H LIG 1 -1.037 -1.369 1.270 0.00 0.00 +0.157 HD ATOM 16 O LIG 1 -1.402 1.478 -0.175 0.00 0.00 -0.270 OA BRANCH 14 17 ATOM 17 C LIG 1 -2.915 -0.658 0.984 0.00 0.00 +0.167 A ATOM 18 S LIG 1 -3.482 -2.098 1.696 0.00 0.00 -0.029 S ATOM 19 C LIG 1 -5.086 -1.578 1.411 0.00 0.00 +0.174 A ATOM 20 C LIG 1 -5.092 -0.313 0.847 0.00 0.00 +0.109 A ATOM 21 N LIG 1 -3.820 0.193 0.582 0.00 0.00 -0.222 NA BRANCH 20 22 ATOM 22 C LIG 1 -6.261 0.490 0.500 0.00 0.00 +0.003 A ATOM 23 C LIG 1 -7.382 0.584 1.336 0.00 0.00 +0.010 A ATOM 24 C LIG 1 -8.474 1.378 0.973 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -8.451 2.098 -0.220 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -7.333 2.031 -1.049 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -6.243 1.237 -0.688 0.00 0.00 +0.010 A ENDBRANCH 20 22 BRANCH 19 28 ATOM 28 N LIG 1 -6.228 -2.439 1.764 0.00 0.00 -0.021 NA ATOM 29 O LIG 1 -7.053 -2.585 0.856 0.00 0.00 -0.143 OA ENDBRANCH 19 28 ENDBRANCH 14 17 ENDBRANCH 4 13 BRANCH 1 30 ATOM 30 N LIG 1 4.803 0.156 0.257 0.00 0.00 -0.344 N ATOM 31 H LIG 1 5.141 -0.515 -0.430 0.00 0.00 +0.146 HD BRANCH 30 32 ATOM 32 C LIG 1 5.635 1.354 0.333 0.00 0.00 +0.101 C BRANCH 32 33 ATOM 33 C LIG 1 7.110 0.947 0.287 0.00 0.00 +0.018 C BRANCH 33 35 ATOM 34 C LIG 1 8.011 3.156 -0.617 0.00 0.00 +0.004 C ATOM 35 C LIG 1 8.070 2.120 0.495 0.00 0.00 -0.002 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 9