REMARK Name = BDB059085 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.154 1.555 -0.195 0.00 0.00 -0.324 N ATOM 2 C LIG 1 -1.564 1.319 1.138 0.00 0.00 +0.124 C ATOM 3 C LIG 1 -0.049 1.605 1.120 0.00 0.00 +0.127 C ATOM 4 N LIG 1 0.672 0.786 0.130 0.00 0.00 -0.298 N ATOM 5 C LIG 1 -0.181 0.121 -0.879 0.00 0.00 +0.127 C ATOM 6 C LIG 1 -1.355 1.018 -1.324 0.00 0.00 +0.124 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.002 0.442 0.236 0.00 0.00 +0.199 A ATOM 8 N LIG 1 2.796 1.191 1.058 0.00 0.00 -0.295 N ATOM 9 H LIG 1 2.425 1.993 1.534 0.00 0.00 +0.172 HD ATOM 10 C LIG 1 4.125 0.962 1.238 0.00 0.00 +0.257 A ATOM 11 O LIG 1 4.806 1.658 1.985 0.00 0.00 -0.267 OA ATOM 12 C LIG 1 4.691 -0.177 0.486 0.00 0.00 +0.048 A ATOM 13 C LIG 1 6.155 -0.413 0.688 0.00 0.00 +0.111 C ATOM 14 S LIG 1 6.900 -1.544 -0.522 0.00 0.00 -0.155 S ATOM 15 C LIG 1 5.545 -2.742 -0.615 0.00 0.00 +0.075 C ATOM 16 C LIG 1 4.264 -2.071 -1.094 0.00 0.00 +0.066 C ATOM 17 C LIG 1 3.835 -0.862 -0.292 0.00 0.00 +0.055 A ATOM 18 N LIG 1 2.501 -0.556 -0.427 0.00 0.00 -0.220 NA ENDBRANCH 4 7 BRANCH 1 20 ATOM 19 C LIG 1 -4.040 -0.097 -0.268 0.00 0.00 +0.141 A ATOM 20 C LIG 1 -3.527 1.222 -0.228 0.00 0.00 +0.072 A ATOM 21 C LIG 1 -4.431 2.297 -0.198 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -5.809 2.086 -0.218 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -6.306 0.788 -0.266 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -5.427 -0.298 -0.290 0.00 0.00 +0.047 A BRANCH 19 26 ATOM 25 C LIG 1 -3.607 -2.449 -0.293 0.00 0.00 +0.277 C ATOM 26 O LIG 1 -3.118 -1.115 -0.274 0.00 0.00 -0.493 OA ENDBRANCH 19 26 ENDBRANCH 1 20 TORSDOF 3