REMARK Name = BDB008283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.147 0.378 -0.794 0.00 0.00 +0.128 A ATOM 2 N LIG 1 0.112 1.013 -0.224 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -1.036 0.341 -0.013 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -1.189 -0.991 -0.357 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.113 -1.664 -0.944 0.00 0.00 -0.009 A ATOM 6 C LIG 1 1.075 -0.958 -1.165 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -0.225 -3.086 -1.319 0.00 0.00 +0.011 A ATOM 8 C LIG 1 0.028 -4.120 -0.368 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -0.091 -5.462 -0.802 0.00 0.00 +0.072 A ATOM 10 C LIG 1 0.152 -6.489 0.099 0.00 0.00 +0.028 A ATOM 11 C LIG 1 0.511 -6.241 1.425 0.00 0.00 +0.002 A ATOM 12 C LIG 1 0.632 -4.933 1.867 0.00 0.00 +0.001 A ATOM 13 N LIG 1 -0.429 -5.796 -2.056 0.00 0.00 -0.253 NA ATOM 14 C LIG 1 -0.671 -4.800 -2.935 0.00 0.00 +0.132 A ATOM 15 C LIG 1 0.394 -3.882 0.981 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -0.583 -3.454 -2.626 0.00 0.00 +0.067 A ATOM 17 CL LIG 1 -0.909 -2.301 -3.869 0.00 0.00 -0.081 Cl ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 2.608 2.376 -0.724 0.00 0.00 +0.235 C ATOM 19 N LIG 1 2.352 1.051 -1.037 0.00 0.00 -0.269 N ATOM 20 H LIG 1 3.087 0.520 -1.480 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 1.839 3.168 -0.185 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 4.030 2.812 -1.157 0.00 0.00 +0.137 C ATOM 23 C LIG 1 4.018 3.133 -2.649 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 4.844 3.695 0.958 0.00 0.00 +0.101 C ATOM 25 N LIG 1 4.468 4.014 -0.415 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 3.663 4.651 -0.379 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 -2.030 1.113 0.578 0.00 0.00 -0.265 N ATOM 28 H LIG 1 -1.752 2.075 0.755 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 -3.306 0.754 0.941 0.00 0.00 +0.268 C ATOM 30 O LIG 1 -3.821 -0.351 0.819 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 -4.086 1.884 1.546 0.00 0.00 +0.126 A ATOM 32 N LIG 1 -3.434 3.076 1.656 0.00 0.00 -0.249 NA ATOM 33 C LIG 1 -4.137 4.099 2.201 0.00 0.00 +0.131 A ATOM 34 C LIG 1 -5.450 3.990 2.639 0.00 0.00 +0.059 A ATOM 35 CL LIG 1 -6.267 5.336 3.318 0.00 0.00 -0.082 Cl ATOM 36 C LIG 1 -6.091 2.761 2.514 0.00 0.00 +0.024 A ATOM 37 C LIG 1 -5.400 1.685 1.958 0.00 0.00 +0.034 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6