REMARK Name = BDB002930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.316 0.587 0.126 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -0.010 0.351 -0.396 0.00 0.00 +0.016 A ATOM 3 C LIG 1 0.190 -0.768 -1.257 0.00 0.00 +0.063 A ATOM 4 C LIG 1 1.520 -0.992 -1.756 0.00 0.00 +0.129 A ATOM 5 N LIG 1 2.578 -0.211 -1.470 0.00 0.00 -0.216 NA ATOM 6 C LIG 1 2.353 0.823 -0.670 0.00 0.00 +0.134 A ATOM 7 N LIG 1 3.319 1.737 -0.262 0.00 0.00 -0.251 N ATOM 8 C LIG 1 2.781 2.705 0.566 0.00 0.00 +0.226 C ATOM 9 O LIG 1 3.357 3.651 1.078 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 1.298 2.381 0.721 0.00 0.00 +0.135 C ATOM 11 C LIG 1 -0.956 -1.559 -1.546 0.00 0.00 +0.129 A ATOM 12 N LIG 1 -2.180 -1.311 -1.048 0.00 0.00 -0.216 NA ATOM 13 C LIG 1 1.123 1.146 -0.122 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -2.363 -0.276 -0.208 0.00 0.00 +0.142 A ENDROOT BRANCH 4 15 ATOM 15 N LIG 1 1.866 -2.107 -2.526 0.00 0.00 -0.343 N ATOM 16 H LIG 1 1.280 -2.192 -3.346 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 1.825 -2.950 -1.962 0.00 0.00 +0.144 HD ENDBRANCH 4 15 BRANCH 11 18 ATOM 18 N LIG 1 -0.948 -2.623 -2.451 0.00 0.00 -0.343 N ATOM 19 H LIG 1 -0.245 -3.311 -2.219 0.00 0.00 +0.144 HD ATOM 20 H LIG 1 -0.838 -2.285 -3.401 0.00 0.00 +0.144 HD ENDBRANCH 11 18 BRANCH 1 22 ATOM 21 N LIG 1 -1.812 2.604 1.684 0.00 0.00 -0.191 NA ATOM 22 C LIG 1 -1.609 1.695 0.988 0.00 0.00 +0.103 C ENDBRANCH 1 22 BRANCH 7 23 ATOM 23 C LIG 1 4.711 1.637 -0.626 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 5.414 0.669 0.282 0.00 0.00 +0.008 A ATOM 25 S LIG 1 6.195 1.219 1.706 0.00 0.00 -0.100 S ATOM 26 C LIG 1 6.699 -0.361 2.119 0.00 0.00 +0.045 A ATOM 27 C LIG 1 6.287 -1.294 1.194 0.00 0.00 +0.008 A ATOM 28 C LIG 1 5.547 -0.699 0.133 0.00 0.00 +0.013 A ENDBRANCH 23 24 ENDBRANCH 7 23 BRANCH 14 29 ATOM 29 N LIG 1 -3.668 -0.065 0.323 0.00 0.00 -0.310 N BRANCH 29 30 ATOM 30 C LIG 1 -3.950 -1.121 1.336 0.00 0.00 +0.134 C BRANCH 30 31 ATOM 31 C LIG 1 -3.391 -0.754 2.722 0.00 0.00 +0.174 C BRANCH 31 32 ATOM 32 O LIG 1 -1.977 -0.935 2.788 0.00 0.00 -0.393 OA ATOM 33 H LIG 1 -1.697 -0.601 3.658 0.00 0.00 +0.209 HD ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 BRANCH 29 34 ATOM 34 C LIG 1 -4.646 -0.058 -0.791 0.00 0.00 +0.134 C BRANCH 34 35 ATOM 35 C LIG 1 -5.872 0.787 -0.422 0.00 0.00 +0.174 C BRANCH 35 36 ATOM 36 O LIG 1 -6.811 0.791 -1.493 0.00 0.00 -0.393 OA ATOM 37 H LIG 1 -7.534 1.386 -1.232 0.00 0.00 +0.209 HD ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 29 34 ENDBRANCH 14 29 TORSDOF 12