REMARK Name = BDB011362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.913 -1.379 0.214 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.040 -0.520 -0.473 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.229 -0.873 -0.115 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.625 -0.445 -0.422 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.381 -1.507 0.329 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -1.518 -2.374 1.045 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.785 -3.319 1.768 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.186 -1.951 0.719 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.146 -2.279 0.952 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.778 -1.605 0.324 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -4.595 -0.967 -0.802 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -4.050 -0.503 -1.803 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -5.986 -0.976 -0.656 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -6.807 -0.367 -1.691 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -6.615 -1.665 0.364 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -5.910 -2.306 1.299 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -6.694 -3.170 2.564 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -4.471 -2.256 1.279 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 1 22 ATOM 19 C LIG 1 6.090 -1.339 -0.108 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.523 -0.392 0.648 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 4.179 -0.419 0.760 0.00 0.00 +0.228 A ATOM 22 C LIG 1 3.371 -1.340 0.118 0.00 0.00 +0.078 A ATOM 23 C LIG 1 4.062 -2.266 -0.632 0.00 0.00 +0.129 A ATOM 24 N LIG 1 5.404 -2.280 -0.767 0.00 0.00 -0.222 NA BRANCH 19 26 ATOM 25 C LIG 1 8.123 -0.104 -0.272 0.00 0.00 +0.128 C ATOM 26 N LIG 1 7.467 -1.391 -0.258 0.00 0.00 -0.316 N ATOM 27 H LIG 1 7.639 -1.980 -1.066 0.00 0.00 +0.149 HD ENDBRANCH 19 26 BRANCH 21 28 ATOM 28 O LIG 1 3.559 0.536 1.547 0.00 0.00 -0.479 OA ATOM 29 C LIG 1 4.471 1.349 2.277 0.00 0.00 +0.279 C ENDBRANCH 21 28 ENDBRANCH 1 22 BRANCH 4 30 ATOM 30 C LIG 1 -1.948 0.950 0.098 0.00 0.00 -0.021 A ATOM 31 C LIG 1 -2.473 1.920 -0.772 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -2.786 3.203 -0.313 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -2.579 3.539 1.027 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -2.059 2.586 1.905 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -1.749 1.302 1.446 0.00 0.00 +0.007 A BRANCH 33 36 ATOM 36 C LIG 1 -2.898 4.855 1.497 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -3.158 5.921 1.874 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 4 30 BRANCH 2 38 ATOM 38 C LIG 1 1.455 0.499 -1.440 0.00 0.00 +0.081 C ATOM 39 C LIG 1 0.716 0.403 -2.776 0.00 0.00 +0.030 C ATOM 40 C LIG 1 1.399 1.914 -0.867 0.00 0.00 +0.030 C ENDBRANCH 2 38 TORSDOF 7