REMARK Name = BDB034184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.061 0.265 -1.963 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.182 -0.021 -1.234 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -2.351 0.573 -1.734 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -3.546 0.358 -1.069 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -4.911 0.873 -1.368 0.00 0.00 +0.144 C ATOM 6 N LIG 1 -5.726 0.228 -0.347 0.00 0.00 -0.282 N ATOM 7 C LIG 1 -4.957 -0.472 0.566 0.00 0.00 +0.248 C ATOM 8 O LIG 1 -5.307 -1.001 1.601 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -3.575 -0.429 0.076 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -2.443 -1.019 0.603 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -1.232 -0.808 -0.067 0.00 0.00 +0.046 A BRANCH 6 12 ATOM 12 C LIG 1 -7.137 0.564 -0.186 0.00 0.00 +0.163 C ATOM 13 C LIG 1 -7.320 1.531 0.983 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -6.806 2.651 0.996 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -8.047 1.084 2.057 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -8.142 1.733 2.825 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -8.544 -0.171 2.287 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -9.134 -0.424 3.336 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -8.316 -1.217 1.226 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -8.099 -0.621 -0.153 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 22 ATOM 21 C LIG 1 1.962 0.363 -0.569 0.00 0.00 +0.097 C ATOM 22 C LIG 1 1.170 -0.422 -1.660 0.00 0.00 +0.190 C ATOM 23 C LIG 1 1.939 -0.531 -2.986 0.00 0.00 +0.046 C ATOM 24 C LIG 1 2.400 0.827 -3.509 0.00 0.00 +0.004 C ATOM 25 C LIG 1 3.214 1.602 -2.481 0.00 0.00 +0.002 C ATOM 26 C LIG 1 2.500 1.698 -1.137 0.00 0.00 +0.022 C BRANCH 21 29 ATOM 27 C LIG 1 4.824 0.122 0.632 0.00 0.00 +0.048 C ATOM 28 C LIG 1 4.153 -0.875 -0.349 0.00 0.00 +0.094 C ATOM 29 N LIG 1 2.837 -0.549 0.202 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 3.458 0.095 1.370 0.00 0.00 +0.094 C BRANCH 27 32 ATOM 31 C LIG 1 7.357 -0.655 0.679 0.00 0.00 +0.057 A ATOM 32 C LIG 1 6.170 -0.322 1.384 0.00 0.00 -0.024 A ATOM 33 C LIG 1 6.253 -0.374 2.793 0.00 0.00 +0.006 A ATOM 34 C LIG 1 7.422 -0.754 3.461 0.00 0.00 +0.020 A ATOM 35 C LIG 1 8.556 -1.088 2.733 0.00 0.00 +0.042 A ATOM 36 CL LIG 1 9.994 -1.554 3.550 0.00 0.00 -0.084 Cl ATOM 37 C LIG 1 8.532 -1.038 1.345 0.00 0.00 +0.039 A BRANCH 31 39 ATOM 38 N LIG 1 7.396 -0.544 -1.915 0.00 0.00 -0.191 NA ATOM 39 C LIG 1 7.385 -0.595 -0.756 0.00 0.00 +0.099 C ENDBRANCH 31 39 ENDBRANCH 27 32 ENDBRANCH 21 29 ENDBRANCH 1 22 TORSDOF 6