REMARK Name = BDB035964 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.711 -1.085 -2.042 0.00 0.00 -0.196 N ATOM 2 H LIG 1 0.317 -2.023 -2.008 0.00 0.00 +0.175 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.089 -0.083 -1.312 0.00 0.00 +0.192 A ATOM 4 C LIG 1 -1.157 -0.239 -0.667 0.00 0.00 +0.106 A ATOM 5 C LIG 1 -1.392 0.986 -0.071 0.00 0.00 +0.173 A ATOM 6 C LIG 1 -2.533 1.293 0.679 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -3.513 0.284 0.834 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -3.281 -0.965 0.253 0.00 0.00 +0.003 A ATOM 9 C LIG 1 -4.143 -2.174 0.203 0.00 0.00 +0.080 C ATOM 10 C LIG 1 -3.124 -3.198 -0.298 0.00 0.00 +0.234 C ATOM 11 O LIG 1 -2.067 -2.508 -1.002 0.00 0.00 -0.491 OA ATOM 12 O LIG 1 -0.348 1.814 -0.340 0.00 0.00 -0.353 OA ATOM 13 C LIG 1 -2.125 -1.222 -0.485 0.00 0.00 +0.138 A ATOM 14 N LIG 1 0.586 1.142 -1.115 0.00 0.00 -0.060 NA BRANCH 7 15 ATOM 15 C LIG 1 -4.776 0.589 1.605 0.00 0.00 +0.179 C BRANCH 15 16 ATOM 16 N LIG 1 -5.635 1.516 0.880 0.00 0.00 -0.267 N ATOM 17 N LIG 1 -5.667 2.819 1.229 0.00 0.00 -0.179 NA ATOM 18 C LIG 1 -6.549 3.352 0.380 0.00 0.00 +0.134 A ATOM 19 C LIG 1 -7.094 2.396 -0.497 0.00 0.00 +0.041 A ATOM 20 C LIG 1 -6.489 1.213 -0.143 0.00 0.00 +0.108 A ENDBRANCH 15 16 ENDBRANCH 7 15 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 S LIG 1 2.308 -1.041 -2.515 0.00 0.00 +0.077 S ATOM 22 O LIG 1 2.652 -2.373 -2.974 0.00 0.00 -0.150 OA ATOM 23 O LIG 1 2.503 0.095 -3.393 0.00 0.00 -0.150 OA BRANCH 21 25 ATOM 24 C LIG 1 3.108 -1.651 0.059 0.00 0.00 +0.147 A ATOM 25 C LIG 1 3.207 -0.750 -1.009 0.00 0.00 +0.152 A ATOM 26 C LIG 1 4.024 0.392 -0.929 0.00 0.00 +0.060 A ATOM 27 C LIG 1 4.752 0.645 0.236 0.00 0.00 +0.067 A ATOM 28 C LIG 1 4.656 -0.253 1.309 0.00 0.00 +0.031 A ATOM 29 C LIG 1 3.838 -1.387 1.222 0.00 0.00 +0.050 A BRANCH 27 30 ATOM 30 N LIG 1 5.583 1.795 0.357 0.00 0.00 -0.240 N ATOM 31 N LIG 1 6.299 2.021 1.492 0.00 0.00 -0.175 NA ATOM 32 C LIG 1 6.951 3.160 1.261 0.00 0.00 +0.135 A ATOM 33 C LIG 1 6.677 3.689 -0.006 0.00 0.00 +0.041 A ATOM 34 C LIG 1 5.796 2.796 -0.568 0.00 0.00 +0.114 A ENDBRANCH 27 30 BRANCH 24 36 ATOM 35 C LIG 1 2.481 -3.829 0.782 0.00 0.00 +0.277 C ATOM 36 O LIG 1 2.260 -2.716 -0.077 0.00 0.00 -0.493 OA ENDBRANCH 24 36 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 7