REMARK Name = BDB034672 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.149 0.941 0.793 0.00 0.00 -0.292 N ATOM 2 C LIG 1 0.209 0.919 0.447 0.00 0.00 +0.072 A ATOM 3 C LIG 1 0.663 2.238 0.418 0.00 0.00 +0.070 A ATOM 4 C LIG 1 1.968 2.547 0.108 0.00 0.00 +0.030 A ATOM 5 C LIG 1 2.829 1.478 -0.178 0.00 0.00 +0.025 A ATOM 6 C LIG 1 2.385 0.134 -0.162 0.00 0.00 +0.033 A ATOM 7 N LIG 1 -0.413 3.074 0.733 0.00 0.00 -0.295 N ATOM 8 C LIG 1 -0.368 4.507 0.773 0.00 0.00 +0.154 C ATOM 9 C LIG 1 1.045 -0.143 0.162 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -1.562 2.284 0.951 0.00 0.00 +0.330 A ATOM 11 O LIG 1 -2.688 2.676 1.211 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 3.252 -0.952 -0.410 0.00 0.00 -0.313 N ATOM 13 H LIG 1 2.772 -1.761 -0.798 0.00 0.00 +0.152 HD BRANCH 12 14 ATOM 14 C LIG 1 4.653 -1.084 -0.270 0.00 0.00 +0.053 A ATOM 15 C LIG 1 5.394 -1.934 -1.113 0.00 0.00 +0.110 A ATOM 16 C LIG 1 6.772 -1.981 -0.948 0.00 0.00 +0.148 A ATOM 17 CL LIG 1 7.803 -2.974 -1.907 0.00 0.00 -0.061 Cl ATOM 18 N LIG 1 7.457 -1.262 -0.030 0.00 0.00 -0.242 NA ATOM 19 C LIG 1 6.733 -0.456 0.767 0.00 0.00 +0.114 A ATOM 20 C LIG 1 5.356 -0.333 0.681 0.00 0.00 +0.044 A BRANCH 15 21 ATOM 21 C LIG 1 4.750 -2.724 -2.112 0.00 0.00 +0.104 C ATOM 22 N LIG 1 4.170 -3.357 -2.893 0.00 0.00 -0.191 NA ENDBRANCH 15 21 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 1 23 ATOM 23 C LIG 1 -2.029 -0.199 0.861 0.00 0.00 +0.128 C BRANCH 23 24 ATOM 24 C LIG 1 -2.666 -0.498 -0.500 0.00 0.00 +0.036 C BRANCH 24 25 ATOM 25 C LIG 1 -3.550 -1.751 -0.472 0.00 0.00 +0.096 C ATOM 26 C LIG 1 -4.060 -2.105 -1.867 0.00 0.00 +0.019 C BRANCH 25 27 ATOM 27 C LIG 1 -4.702 -1.582 0.500 0.00 0.00 +0.310 C ATOM 28 O LIG 1 -4.750 -2.147 1.585 0.00 0.00 -0.251 OA BRANCH 27 30 ATOM 29 C LIG 1 -6.698 -0.443 0.939 0.00 0.00 +0.280 C ATOM 30 O LIG 1 -5.624 -0.699 0.033 0.00 0.00 -0.468 OA ENDBRANCH 27 30 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 8