REMARK Name = BDB019367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.112 1.752 -2.671 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.074 1.650 -1.814 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -0.939 1.049 -0.553 0.00 0.00 +0.237 C ATOM 4 O LIG 1 0.140 1.035 0.039 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -1.691 2.983 -1.756 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -0.707 3.936 -2.462 0.00 0.00 +0.134 C ATOM 7 C LIG 1 0.617 3.169 -2.463 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 2.083 0.624 -1.688 0.00 0.00 -0.310 N ATOM 9 H LIG 1 1.766 1.071 -0.820 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 1.132 0.596 -2.686 0.00 0.00 +0.234 C ATOM 11 O LIG 1 1.034 -0.328 -3.498 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 2.986 -0.493 -1.523 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 4.776 -0.341 2.415 0.00 0.00 -0.010 A ATOM 14 C LIG 1 5.487 0.123 1.300 0.00 0.00 +0.009 A ATOM 15 C LIG 1 4.922 0.069 0.022 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.639 -0.463 -0.163 0.00 0.00 -0.030 A ATOM 17 C LIG 1 2.932 -0.931 0.952 0.00 0.00 +0.006 A ATOM 18 C LIG 1 3.496 -0.875 2.228 0.00 0.00 +0.009 A BRANCH 13 21 ATOM 19 C LIG 1 7.424 -1.789 3.577 0.00 0.00 +0.067 C ATOM 20 C LIG 1 6.489 -0.867 4.276 0.00 0.00 +0.053 A ATOM 21 C LIG 1 5.357 -0.264 3.751 0.00 0.00 +0.042 A ATOM 22 S LIG 1 4.611 0.709 4.955 0.00 0.00 -0.075 S ATOM 23 C LIG 1 5.827 0.248 6.064 0.00 0.00 +0.156 A ATOM 24 N LIG 1 6.745 -0.569 5.608 0.00 0.00 -0.252 NA ENDBRANCH 13 21 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 O LIG 1 -1.098 4.197 -3.810 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 -1.711 3.499 -4.105 0.00 0.00 +0.210 HD ENDBRANCH 6 25 BRANCH 3 27 ATOM 27 C LIG 1 -2.275 0.587 0.096 0.00 0.00 +0.166 C BRANCH 27 28 ATOM 28 N LIG 1 -3.213 -0.001 -0.868 0.00 0.00 -0.281 N ATOM 29 C LIG 1 -4.501 0.479 -1.048 0.00 0.00 +0.248 C ATOM 30 O LIG 1 -5.065 1.346 -0.412 0.00 0.00 -0.270 OA ATOM 31 C LIG 1 -5.075 -0.255 -2.179 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -4.099 -1.120 -2.674 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -4.368 -1.936 -3.758 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -5.640 -1.871 -4.331 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.618 -0.994 -3.820 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -6.338 -0.168 -2.729 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -2.847 -0.995 -1.872 0.00 0.00 +0.144 C ENDBRANCH 27 28 BRANCH 27 38 ATOM 38 C LIG 1 -2.038 -0.234 1.376 0.00 0.00 +0.019 C ATOM 39 C LIG 1 -1.470 -1.642 1.224 0.00 0.00 +0.006 C ATOM 40 C LIG 1 -1.589 -2.200 2.635 0.00 0.00 +0.000 C ATOM 41 C LIG 1 -2.878 -1.591 3.195 0.00 0.00 +0.000 C ATOM 42 C LIG 1 -3.294 -0.494 2.213 0.00 0.00 +0.006 C ENDBRANCH 27 38 ENDBRANCH 3 27 TORSDOF 8