REMARK Name = BDB037287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.039 -2.405 0.883 0.00 0.00 +0.192 A ATOM 2 C LIG 1 0.962 -1.477 0.350 0.00 0.00 +0.106 A ATOM 3 C LIG 1 2.195 -2.041 0.630 0.00 0.00 +0.173 A ATOM 4 C LIG 1 3.427 -1.479 0.269 0.00 0.00 +0.055 A ATOM 5 C LIG 1 3.414 -0.241 -0.413 0.00 0.00 -0.016 A ATOM 6 C LIG 1 2.180 0.350 -0.690 0.00 0.00 +0.003 A ATOM 7 C LIG 1 1.869 1.661 -1.317 0.00 0.00 +0.080 C ATOM 8 C LIG 1 0.373 1.476 -1.565 0.00 0.00 +0.234 C ATOM 9 O LIG 1 -0.137 0.518 -0.616 0.00 0.00 -0.491 OA ATOM 10 O LIG 1 2.013 -3.199 1.319 0.00 0.00 -0.353 OA ATOM 11 C LIG 1 0.977 -0.249 -0.308 0.00 0.00 +0.138 A ATOM 12 N LIG 1 0.656 -3.411 1.513 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -1.351 -2.340 0.891 0.00 0.00 -0.196 N ATOM 14 H LIG 1 -1.755 -3.061 1.489 0.00 0.00 +0.175 HD BRANCH 13 15 ATOM 15 S LIG 1 -2.193 -2.387 -0.573 0.00 0.00 +0.077 S ATOM 16 O LIG 1 -1.279 -2.174 -1.678 0.00 0.00 -0.150 OA ATOM 17 O LIG 1 -3.030 -3.569 -0.542 0.00 0.00 -0.150 OA BRANCH 15 19 ATOM 18 C LIG 1 -4.144 -0.836 0.626 0.00 0.00 +0.147 A ATOM 19 C LIG 1 -3.264 -0.974 -0.456 0.00 0.00 +0.150 A ATOM 20 C LIG 1 -3.227 -0.021 -1.486 0.00 0.00 +0.036 A ATOM 21 C LIG 1 -4.054 1.104 -1.436 0.00 0.00 -0.048 A ATOM 22 C LIG 1 -4.036 2.111 -2.547 0.00 0.00 +0.044 C ATOM 23 C LIG 1 -4.936 1.244 -0.361 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -4.976 0.288 0.662 0.00 0.00 +0.048 A BRANCH 18 26 ATOM 25 C LIG 1 -5.156 -1.786 2.568 0.00 0.00 +0.277 C ATOM 26 O LIG 1 -4.122 -1.804 1.592 0.00 0.00 -0.493 OA ENDBRANCH 18 26 ENDBRANCH 15 19 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 5 27 ATOM 27 C LIG 1 4.721 0.410 -0.793 0.00 0.00 +0.179 C BRANCH 27 28 ATOM 28 N LIG 1 5.417 0.937 0.374 0.00 0.00 -0.267 N ATOM 29 N LIG 1 6.440 0.247 0.920 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 6.836 1.018 1.935 0.00 0.00 +0.134 A ATOM 31 C LIG 1 6.086 2.204 2.032 0.00 0.00 +0.041 A ATOM 32 C LIG 1 5.179 2.129 1.002 0.00 0.00 +0.108 A ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 6