REMARK Name = BDB035756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.711 -0.833 -0.583 0.00 0.00 -0.002 A ATOM 2 C LIG 1 -2.379 -0.749 -0.114 0.00 0.00 +0.030 A ATOM 3 C LIG 1 -1.292 -1.332 -0.792 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -1.568 -2.054 -1.956 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.875 -2.185 -2.428 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -3.934 -1.589 -1.747 0.00 0.00 +0.007 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.034 -1.179 -0.301 0.00 0.00 -0.263 N ATOM 8 C LIG 1 1.194 -1.739 -0.842 0.00 0.00 +0.251 C ATOM 9 O LIG 1 1.361 -2.489 -1.786 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.319 -1.264 -0.028 0.00 0.00 +0.044 A ATOM 11 C LIG 1 1.822 -0.444 0.974 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.688 0.123 1.887 0.00 0.00 +0.047 A ATOM 13 C LIG 1 4.058 -0.143 1.773 0.00 0.00 +0.025 A ATOM 14 C LIG 1 4.564 -0.967 0.739 0.00 0.00 -0.031 A ATOM 15 CL LIG 1 2.111 1.130 3.153 0.00 0.00 -0.083 Cl ATOM 16 C LIG 1 3.667 -1.548 -0.170 0.00 0.00 +0.018 A ATOM 17 C LIG 1 0.343 -0.337 0.853 0.00 0.00 +0.151 C BRANCH 14 18 ATOM 18 C LIG 1 6.043 -1.269 0.637 0.00 0.00 +0.117 C BRANCH 18 19 ATOM 19 N LIG 1 6.900 -0.101 0.875 0.00 0.00 -0.307 NA ATOM 20 H LIG 1 7.725 -0.420 1.383 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 7.229 0.639 -0.358 0.00 0.00 +0.017 C ATOM 22 C LIG 1 8.370 1.640 0.006 0.00 0.00 +0.022 C ATOM 23 C LIG 1 9.102 1.170 -1.269 0.00 0.00 +0.004 C ATOM 24 C LIG 1 8.297 -0.142 -1.177 0.00 0.00 +0.022 C ATOM 25 C LIG 1 6.054 1.259 -1.091 0.00 0.00 +0.027 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 C LIG 1 -4.894 -0.228 0.215 0.00 0.00 +0.176 C BRANCH 26 29 ATOM 27 C LIG 1 -6.391 0.823 2.801 0.00 0.00 +0.151 C ATOM 28 N LIG 1 -5.215 1.395 2.201 0.00 0.00 -0.318 N ATOM 29 C LIG 1 -4.530 0.976 1.081 0.00 0.00 +0.174 A ATOM 30 N LIG 1 -3.548 1.840 0.868 0.00 0.00 -0.131 NA ATOM 31 N LIG 1 -3.558 2.779 1.867 0.00 0.00 -0.138 NA ATOM 32 C LIG 1 -4.568 2.504 2.654 0.00 0.00 +0.224 A ENDBRANCH 26 29 BRANCH 26 33 ATOM 33 C LIG 1 -6.097 0.138 -0.677 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -7.290 -0.609 -0.665 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -8.362 -0.263 -1.492 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.261 0.831 -2.347 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.088 1.581 -2.381 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.015 1.237 -1.556 0.00 0.00 +0.007 A ENDBRANCH 26 33 BRANCH 26 39 ATOM 39 O LIG 1 -5.290 -1.258 1.145 0.00 0.00 -0.372 OA ATOM 40 H LIG 1 -4.577 -1.919 1.153 0.00 0.00 +0.212 HD ENDBRANCH 26 39 ENDBRANCH 1 26 TORSDOF 8