REMARK Name = BDB018490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.303 -1.085 -0.102 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.348 0.028 -0.580 0.00 0.00 +0.123 A ATOM 3 N LIG 1 1.650 -0.019 -0.120 0.00 0.00 -0.239 N ATOM 4 N LIG 1 1.858 -1.140 0.612 0.00 0.00 -0.174 NA ATOM 5 C LIG 1 0.686 -1.778 0.613 0.00 0.00 +0.143 A ENDROOT BRANCH 1 12 ATOM 6 C LIG 1 -3.537 -4.454 -1.411 0.00 0.00 +0.152 C ATOM 7 N LIG 1 -3.300 -3.092 -0.955 0.00 0.00 -0.318 N ATOM 8 C LIG 1 -4.380 -2.237 -0.783 0.00 0.00 +0.252 A ATOM 9 O LIG 1 -5.555 -2.530 -0.983 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 -4.048 -0.869 -0.317 0.00 0.00 +0.079 A ATOM 11 C LIG 1 -2.776 -0.490 -0.100 0.00 0.00 -0.004 A ATOM 12 C LIG 1 -1.674 -1.445 -0.320 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -1.995 -2.689 -0.728 0.00 0.00 +0.098 A BRANCH 11 14 ATOM 14 C LIG 1 -2.596 0.894 0.391 0.00 0.00 -0.017 A ATOM 15 C LIG 1 -2.220 1.128 1.721 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -2.017 2.433 2.178 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -2.193 3.506 1.307 0.00 0.00 +0.041 A ATOM 18 CL LIG 1 -1.930 5.112 1.866 0.00 0.00 -0.084 Cl ATOM 19 C LIG 1 -2.574 3.289 -0.016 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -2.776 1.985 -0.474 0.00 0.00 +0.010 A ENDBRANCH 11 14 ENDBRANCH 1 12 BRANCH 3 21 ATOM 21 C LIG 1 2.669 0.962 -0.293 0.00 0.00 +0.077 A ATOM 22 C LIG 1 4.043 0.703 -0.099 0.00 0.00 +0.063 A ATOM 23 C LIG 1 4.976 1.734 -0.346 0.00 0.00 +0.015 A ATOM 24 C LIG 1 4.567 3.004 -0.749 0.00 0.00 +0.001 A ATOM 25 C LIG 1 3.216 3.265 -0.923 0.00 0.00 +0.002 A ATOM 26 C LIG 1 2.276 2.255 -0.704 0.00 0.00 +0.028 A BRANCH 22 27 ATOM 27 C LIG 1 4.692 -0.588 0.273 0.00 0.00 +0.259 C ATOM 28 N LIG 1 4.273 -1.146 1.505 0.00 0.00 -0.219 N ATOM 29 H LIG 1 3.264 -1.046 1.680 0.00 0.00 +0.167 HD ATOM 30 O LIG 1 5.617 -1.014 -0.405 0.00 0.00 -0.269 OA BRANCH 28 31 ATOM 31 C LIG 1 4.853 -2.319 1.761 0.00 0.00 +0.173 C ATOM 32 N LIG 1 5.305 -3.349 2.039 0.00 0.00 -0.174 NA ENDBRANCH 28 31 ENDBRANCH 22 27 ENDBRANCH 3 21 TORSDOF 5