REMARK Name = BDB023480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.714 0.088 0.213 0.00 0.00 +0.192 C ATOM 2 N LIG 1 -3.818 0.646 -1.133 0.00 0.00 -0.256 N ATOM 3 C LIG 1 -2.631 1.222 -1.547 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -2.338 1.653 -2.645 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -1.708 1.196 -0.406 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -0.425 1.710 -0.320 0.00 0.00 +0.020 A ATOM 7 C LIG 1 0.276 1.553 0.888 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -0.357 0.848 1.950 0.00 0.00 +0.007 A ATOM 9 C LIG 1 -1.656 0.336 1.836 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -2.329 0.522 0.641 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -3.823 -1.450 0.218 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -3.037 -2.240 -0.647 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -3.126 -3.635 -0.632 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -3.999 -4.265 0.250 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -4.112 -5.981 0.265 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -4.780 -3.512 1.120 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -4.690 -2.116 1.107 0.00 0.00 +0.010 A ENDBRANCH 1 11 BRANCH 1 19 ATOM 18 C LIG 1 -4.712 2.048 1.250 0.00 0.00 +0.197 C ATOM 19 O LIG 1 -4.731 0.639 1.054 0.00 0.00 -0.351 OA ENDBRANCH 1 19 BRANCH 7 20 ATOM 20 C LIG 1 1.710 2.080 1.075 0.00 0.00 +0.101 C ATOM 21 C LIG 1 2.035 3.285 0.177 0.00 0.00 +0.048 C BRANCH 20 22 ATOM 22 O LIG 1 1.812 2.534 2.435 0.00 0.00 -0.383 OA ATOM 23 H LIG 1 1.111 3.197 2.562 0.00 0.00 +0.211 HD ENDBRANCH 20 22 BRANCH 20 24 ATOM 24 C LIG 1 2.712 0.895 0.822 0.00 0.00 +0.123 C BRANCH 24 25 ATOM 25 N LIG 1 4.173 1.183 0.780 0.00 0.00 -0.299 NA ATOM 26 C LIG 1 4.609 1.771 2.059 0.00 0.00 +0.105 C BRANCH 25 27 ATOM 27 C LIG 1 5.011 -0.011 0.456 0.00 0.00 +0.059 C ATOM 28 C LIG 1 4.400 -0.996 -0.562 0.00 0.00 +0.038 C ATOM 29 C LIG 1 5.345 -2.156 -0.861 0.00 0.00 +0.109 C ATOM 30 N LIG 1 6.666 -1.710 -1.284 0.00 0.00 -0.302 N ATOM 31 C LIG 1 7.404 -2.589 -2.075 0.00 0.00 +0.212 C ATOM 32 O LIG 1 6.942 -3.642 -2.514 0.00 0.00 -0.276 OA ATOM 33 C LIG 1 8.823 -2.195 -2.402 0.00 0.00 +0.109 C ATOM 34 C LIG 1 7.292 -0.698 -0.440 0.00 0.00 +0.109 C ATOM 35 C LIG 1 6.359 0.467 -0.126 0.00 0.00 +0.038 C ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 7 20 BRANCH 2 36 ATOM 36 C LIG 1 -4.895 0.349 -2.069 0.00 0.00 +0.166 C BRANCH 36 37 ATOM 37 C LIG 1 -6.293 0.579 -1.538 0.00 0.00 +0.059 A ATOM 38 N LIG 1 -6.729 1.863 -1.454 0.00 0.00 -0.257 NA ATOM 39 C LIG 1 -7.975 2.068 -0.962 0.00 0.00 +0.131 A ATOM 40 C LIG 1 -8.816 1.051 -0.544 0.00 0.00 +0.059 A ATOM 41 CL LIG 1 -10.377 1.394 0.079 0.00 0.00 -0.082 Cl ATOM 42 C LIG 1 -8.364 -0.259 -0.642 0.00 0.00 +0.023 A ATOM 43 C LIG 1 -7.088 -0.502 -1.148 0.00 0.00 +0.026 A ENDBRANCH 36 37 ENDBRANCH 2 36 TORSDOF 9