REMARK Name = BDB008752 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.885 -0.108 -0.208 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -1.593 -0.457 -0.183 0.00 0.00 -0.222 NA ATOM 3 C LIG 1 -0.703 0.416 0.352 0.00 0.00 +0.135 A ATOM 4 C LIG 1 -1.045 1.661 0.871 0.00 0.00 +0.083 A ATOM 5 CL LIG 1 0.155 2.722 1.530 0.00 0.00 -0.080 Cl ATOM 6 C LIG 1 -2.397 2.030 0.831 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -3.319 1.115 0.291 0.00 0.00 +0.054 A ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 -2.894 3.304 1.354 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -3.034 4.464 0.557 0.00 0.00 +0.076 A ATOM 10 C LIG 1 -3.537 5.659 1.083 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.535 6.566 0.003 0.00 0.00 +0.143 A ATOM 12 N LIG 1 -3.076 6.022 -1.122 0.00 0.00 -0.179 NA ATOM 13 C LIG 1 -3.912 5.732 2.435 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -3.779 4.601 3.239 0.00 0.00 +0.001 A ATOM 15 N LIG 1 -2.765 4.760 -0.765 0.00 0.00 -0.266 N ATOM 16 C LIG 1 -2.203 3.893 -1.775 0.00 0.00 +0.173 C ATOM 17 C LIG 1 -3.283 3.413 2.707 0.00 0.00 +0.010 A ENDBRANCH 6 8 BRANCH 1 19 ATOM 18 C LIG 1 -3.755 -2.195 -1.313 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -3.854 -0.964 -0.728 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -4.818 -0.660 -0.693 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -4.833 -2.714 -1.632 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -2.390 -2.897 -1.520 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -1.953 -3.617 -0.245 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -3.091 -5.034 -2.584 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -2.385 -3.767 -2.728 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -1.417 -3.969 -2.972 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 C LIG 1 0.639 -0.079 0.327 0.00 0.00 -0.040 C ATOM 28 C LIG 1 1.765 -0.497 0.307 0.00 0.00 -0.059 C BRANCH 28 29 ATOM 29 C LIG 1 3.106 -0.991 0.286 0.00 0.00 +0.026 A ATOM 30 C LIG 1 4.141 -0.227 0.829 0.00 0.00 +0.025 A ATOM 31 C LIG 1 5.466 -0.699 0.817 0.00 0.00 -0.014 A ATOM 32 C LIG 1 5.761 -1.959 0.251 0.00 0.00 +0.003 A ATOM 33 C LIG 1 7.112 -2.375 0.271 0.00 0.00 +0.046 A ATOM 34 N LIG 1 8.114 -1.627 0.801 0.00 0.00 -0.260 NA ATOM 35 C LIG 1 7.787 -0.432 1.330 0.00 0.00 +0.111 A ATOM 36 C LIG 1 7.539 -3.697 -0.303 0.00 0.00 +0.066 C ATOM 37 C LIG 1 4.695 -2.714 -0.293 0.00 0.00 +0.011 A ATOM 38 C LIG 1 6.500 0.068 1.362 0.00 0.00 +0.028 A ATOM 39 C LIG 1 3.382 -2.235 -0.275 0.00 0.00 +0.017 A ENDBRANCH 28 29 ENDBRANCH 3 27 TORSDOF 6