REMARK Name = BDB025202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.786 0.598 -0.839 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.714 -0.296 -0.667 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.005 -1.742 -0.567 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.321 -2.140 0.880 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.903 -2.592 -1.189 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.579 -2.324 -0.512 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.301 -0.850 -0.426 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.967 -0.417 -0.238 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -0.170 -1.174 -0.127 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -1.176 -0.341 0.021 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -0.708 0.967 0.036 0.00 0.00 -0.309 N ATOM 12 C LIG 1 0.663 0.929 -0.142 0.00 0.00 +0.071 A ATOM 13 C LIG 1 1.650 1.910 -0.219 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.974 1.477 -0.394 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.335 0.122 -0.501 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.715 1.809 -1.015 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.476 2.194 0.240 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -2.142 2.259 1.623 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.812 3.614 1.872 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.559 4.182 0.650 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.761 3.141 -0.454 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.452 2.492 -0.915 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -2.841 5.396 0.077 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.628 5.535 0.060 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.678 6.309 -0.464 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.625 6.083 -0.408 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.128 0.825 -0.974 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.001 -0.035 -0.802 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.497 -0.626 0.136 0.00 0.00 -0.285 N ATOM 30 H LIG 1 -3.173 0.121 0.107 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.120 -1.893 0.187 0.00 0.00 +0.034 A ATOM 32 C LIG 1 -2.433 -3.109 0.240 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -3.115 -4.331 0.295 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -4.511 -4.369 0.291 0.00 0.00 -0.050 A ATOM 35 C LIG 1 -5.239 -5.676 0.383 0.00 0.00 +0.044 C ATOM 36 C LIG 1 -5.213 -3.162 0.258 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -4.525 -1.945 0.203 0.00 0.00 +0.023 A ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 6