REMARK Name = BDB053007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.855 -1.006 2.546 0.00 0.00 +0.077 A ATOM 2 C LIG 1 -0.529 -0.968 2.351 0.00 0.00 +0.108 A ATOM 3 C LIG 1 -1.455 -1.108 3.368 0.00 0.00 +0.180 A ATOM 4 N LIG 1 -2.732 -1.032 2.890 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -2.624 -0.841 1.585 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -1.114 -1.296 4.660 0.00 0.00 -0.233 NA ATOM 7 C LIG 1 0.223 -1.331 4.869 0.00 0.00 +0.135 A ATOM 8 N LIG 1 -1.295 -0.795 1.229 0.00 0.00 -0.335 N ATOM 9 H LIG 1 -0.920 -0.646 0.305 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 1.216 -1.197 3.894 0.00 0.00 +0.082 A ATOM 11 CL LIG 1 2.861 -1.274 4.416 0.00 0.00 -0.080 Cl ENDROOT BRANCH 1 15 ATOM 12 N LIG 1 4.282 -0.805 -0.061 0.00 0.00 -0.294 NA ATOM 13 C LIG 1 3.212 -1.817 -0.239 0.00 0.00 +0.103 C ATOM 14 C LIG 1 2.381 -2.102 1.032 0.00 0.00 +0.120 C ATOM 15 N LIG 1 1.691 -0.862 1.443 0.00 0.00 -0.325 N ATOM 16 C LIG 1 2.534 0.357 1.425 0.00 0.00 +0.120 C ATOM 17 C LIG 1 4.020 0.049 1.123 0.00 0.00 +0.103 C BRANCH 12 18 ATOM 18 C LIG 1 4.440 -0.018 -1.300 0.00 0.00 +0.143 C BRANCH 18 23 ATOM 19 C LIG 1 9.274 1.646 -1.112 0.00 0.00 +0.089 C ATOM 20 C LIG 1 7.826 1.395 -1.203 0.00 0.00 +0.135 A ATOM 21 O LIG 1 7.036 2.483 -1.406 0.00 0.00 -0.360 OA ATOM 22 N LIG 1 5.711 2.087 -1.464 0.00 0.00 -0.082 NA ATOM 23 C LIG 1 5.720 0.758 -1.291 0.00 0.00 +0.098 A ATOM 24 C LIG 1 7.040 0.273 -1.127 0.00 0.00 +0.072 A ENDBRANCH 18 23 ENDBRANCH 12 18 ENDBRANCH 1 15 BRANCH 5 25 ATOM 25 C LIG 1 -3.743 -0.692 0.646 0.00 0.00 +0.017 A ATOM 26 C LIG 1 -5.053 -0.661 1.146 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -6.152 -0.517 0.294 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -5.966 -0.402 -1.088 0.00 0.00 -0.026 A ATOM 29 C LIG 1 -4.660 -0.439 -1.596 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -3.561 -0.581 -0.739 0.00 0.00 +0.012 A BRANCH 28 31 ATOM 31 C LIG 1 -7.147 -0.250 -2.015 0.00 0.00 +0.178 C BRANCH 31 32 ATOM 32 N LIG 1 -7.155 1.050 -2.672 0.00 0.00 -0.267 N ATOM 33 N LIG 1 -6.768 1.162 -3.962 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 -6.927 2.461 -4.227 0.00 0.00 +0.134 A ATOM 35 C LIG 1 -7.423 3.179 -3.123 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -7.567 2.238 -2.132 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 5 25 TORSDOF 6