REMARK Name = BDB015005 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.080 -2.051 0.107 0.00 0.00 +0.000 A ATOM 2 C LIG 1 1.902 -2.369 -0.574 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.701 -1.730 -0.248 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.671 -0.762 0.754 0.00 0.00 +0.121 A ATOM 5 C LIG 1 1.842 -0.467 1.456 0.00 0.00 +0.046 A ATOM 6 C LIG 1 3.043 -1.104 1.134 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 N LIG 1 5.197 -2.278 -1.224 0.00 0.00 -0.259 N ATOM 8 C LIG 1 4.331 -2.705 -0.241 0.00 0.00 +0.069 A ATOM 9 C LIG 1 4.925 -3.826 0.306 0.00 0.00 +0.049 A ATOM 10 C LIG 1 6.116 -4.004 -0.416 0.00 0.00 +0.135 A ATOM 11 N LIG 1 6.286 -3.074 -1.357 0.00 0.00 -0.179 NA BRANCH 7 12 ATOM 12 C LIG 1 5.037 -1.136 -2.119 0.00 0.00 +0.179 C BRANCH 12 16 ATOM 13 C LIG 1 6.113 2.601 -0.218 0.00 0.00 +0.120 A ATOM 14 C LIG 1 7.080 1.620 -0.435 0.00 0.00 +0.046 A ATOM 15 C LIG 1 6.730 0.413 -1.051 0.00 0.00 +0.009 A ATOM 16 C LIG 1 5.410 0.167 -1.456 0.00 0.00 -0.026 A ATOM 17 C LIG 1 4.447 1.160 -1.240 0.00 0.00 +0.009 A ATOM 18 C LIG 1 4.798 2.364 -0.624 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 7.640 4.101 0.814 0.00 0.00 +0.277 C ATOM 20 O LIG 1 6.319 3.818 0.372 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 12 16 ENDBRANCH 7 12 ENDBRANCH 1 8 BRANCH 4 21 ATOM 21 O LIG 1 -0.442 -0.090 1.171 0.00 0.00 -0.489 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.455 0.186 0.193 0.00 0.00 +0.261 C BRANCH 22 23 ATOM 23 C LIG 1 -2.722 -0.629 0.487 0.00 0.00 +0.166 C BRANCH 23 24 ATOM 24 O LIG 1 -2.584 -1.964 -0.023 0.00 0.00 -0.387 OA ATOM 25 H LIG 1 -3.503 -2.296 -0.098 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -3.957 0.012 -0.182 0.00 0.00 +0.119 C BRANCH 26 27 ATOM 27 N LIG 1 -5.160 -0.849 -0.074 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -6.253 -0.336 -0.928 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.972 0.880 -0.383 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -6.968 1.164 0.995 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.672 2.275 1.479 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -8.393 3.087 0.605 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.414 2.798 -0.758 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.160 0.315 1.945 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -7.711 1.698 -1.250 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.672 -0.993 1.303 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 10