REMARK Name = BDB011384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.067 -1.018 -0.420 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.160 0.024 -0.172 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.043 -0.554 0.113 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.423 -0.127 0.467 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.050 -1.469 0.752 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.144 -2.536 0.493 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.296 -3.741 0.588 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.092 -1.911 0.112 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.399 -2.228 -0.244 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.349 -1.613 1.252 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.056 -0.579 1.750 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -5.343 -0.710 2.252 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.007 0.474 2.778 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.010 -1.937 2.298 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -7.140 -2.078 2.760 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -5.245 -3.089 1.732 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -6.004 -4.635 1.700 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -4.007 -2.912 1.249 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 1 22 ATOM 19 C LIG 1 6.058 -0.541 -1.542 0.00 0.00 +0.321 A ATOM 20 N LIG 1 5.766 -0.305 -0.254 0.00 0.00 -0.159 NA ATOM 21 C LIG 1 4.474 -0.470 0.096 0.00 0.00 +0.230 A ATOM 22 C LIG 1 3.471 -0.838 -0.789 0.00 0.00 +0.078 A ATOM 23 C LIG 1 3.903 -1.057 -2.081 0.00 0.00 +0.131 A ATOM 24 N LIG 1 5.180 -0.910 -2.484 0.00 0.00 -0.202 NA BRANCH 19 26 ATOM 25 C LIG 1 8.270 -0.070 -0.957 0.00 0.00 +0.280 C ATOM 26 O LIG 1 7.351 -0.395 -1.991 0.00 0.00 -0.466 OA ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 O LIG 1 4.104 -0.226 1.409 0.00 0.00 -0.479 OA ATOM 28 C LIG 1 5.208 0.009 2.276 0.00 0.00 +0.279 C ENDBRANCH 21 27 ENDBRANCH 1 22 BRANCH 4 29 ATOM 29 C LIG 1 -2.138 0.606 -0.661 0.00 0.00 -0.021 A ATOM 30 C LIG 1 -2.329 0.009 -1.921 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -2.996 0.690 -2.944 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -3.486 1.979 -2.726 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -3.307 2.583 -1.479 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -2.640 1.903 -0.456 0.00 0.00 +0.007 A BRANCH 32 35 ATOM 35 C LIG 1 -4.167 2.680 -3.775 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -4.716 3.256 -4.620 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 4 29 BRANCH 2 37 ATOM 37 C LIG 1 1.492 1.449 -0.222 0.00 0.00 +0.081 C ATOM 38 C LIG 1 0.976 2.242 0.978 0.00 0.00 +0.030 C ATOM 39 C LIG 1 1.092 2.084 -1.552 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 7