REMARK Name = BDB049444 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.921 4.494 0.619 0.00 0.00 +0.116 A ATOM 2 C LIG 1 -2.432 3.353 0.020 0.00 0.00 +0.177 A ATOM 3 N LIG 1 -1.047 3.521 -0.028 0.00 0.00 -0.199 N ATOM 4 C LIG 1 -0.230 2.566 -0.657 0.00 0.00 +0.130 A ATOM 5 N LIG 1 1.158 2.729 -0.572 0.00 0.00 -0.299 N ATOM 6 H LIG 1 1.399 3.615 -0.113 0.00 0.00 +0.154 HD ATOM 7 C LIG 1 2.048 1.694 -0.164 0.00 0.00 +0.036 A ATOM 8 C LIG 1 3.427 1.907 -0.254 0.00 0.00 +0.029 A ATOM 9 C LIG 1 4.331 0.887 0.083 0.00 0.00 -0.020 A ATOM 10 C LIG 1 5.813 1.147 0.123 0.00 0.00 +0.046 C ATOM 11 C LIG 1 6.605 -0.113 -0.172 0.00 0.00 +0.101 C ATOM 12 C LIG 1 6.112 -1.296 0.632 0.00 0.00 +0.218 C ATOM 13 O LIG 1 6.864 -2.188 1.015 0.00 0.00 -0.275 OA ATOM 14 N LIG 1 4.760 -1.376 0.815 0.00 0.00 -0.282 N ATOM 15 H LIG 1 4.394 -2.229 1.227 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 3.850 -0.365 0.482 0.00 0.00 +0.079 A ATOM 17 C LIG 1 2.478 -0.606 0.578 0.00 0.00 +0.144 A ATOM 18 O LIG 1 2.076 -1.869 0.956 0.00 0.00 -0.486 OA ATOM 19 C LIG 1 0.735 -2.217 0.571 0.00 0.00 +0.256 C ATOM 20 C LIG 1 0.518 -3.684 0.806 0.00 0.00 +0.011 C ATOM 21 C LIG 1 -0.574 -4.394 0.464 0.00 0.00 -0.000 C ATOM 22 C LIG 1 -1.847 -3.966 -0.228 0.00 0.00 +0.187 C ATOM 23 O LIG 1 -1.772 -2.616 -0.663 0.00 0.00 -0.371 OA ATOM 24 C LIG 1 -2.714 -2.268 -1.685 0.00 0.00 +0.138 C ATOM 25 C LIG 1 -4.094 -1.946 -1.131 0.00 0.00 +0.058 C ATOM 26 C LIG 1 -3.935 -0.536 -0.538 0.00 0.00 +0.103 C ATOM 27 N LIG 1 -2.874 0.091 -1.371 0.00 0.00 -0.307 N ATOM 28 C LIG 1 -2.297 1.311 -1.044 0.00 0.00 +0.127 A ATOM 29 C LIG 1 -2.296 -0.915 -2.275 0.00 0.00 +0.138 C ATOM 30 C LIG 1 1.598 0.441 0.293 0.00 0.00 +0.070 A ATOM 31 C LIG 1 -0.836 1.551 -1.304 0.00 0.00 +0.087 A ATOM 32 N LIG 1 -0.649 4.678 0.582 0.00 0.00 -0.170 NA ATOM 33 N LIG 1 -3.039 2.209 -0.427 0.00 0.00 -0.212 NA ATOM 34 C LIG 1 -1.793 5.262 0.946 0.00 0.00 +0.156 A ENDROOT BRANCH 1 36 ATOM 35 N LIG 1 -5.384 5.111 1.083 0.00 0.00 -0.191 NA ATOM 36 C LIG 1 -4.284 4.809 0.871 0.00 0.00 +0.104 C ENDBRANCH 1 36 BRANCH 26 37 ATOM 37 C LIG 1 -3.535 -0.605 0.955 0.00 0.00 +0.178 C BRANCH 37 38 ATOM 38 O LIG 1 -3.906 0.583 1.651 0.00 0.00 -0.393 OA ATOM 39 H LIG 1 -3.744 1.328 1.035 0.00 0.00 +0.209 HD ENDBRANCH 37 38 ENDBRANCH 26 37 TORSDOF 3