REMARK Name = BDB055116 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.631 1.556 -1.428 0.00 0.00 +0.141 A ATOM 2 N LIG 1 0.566 0.966 -1.089 0.00 0.00 -0.335 N ATOM 3 H LIG 1 0.703 0.196 -0.452 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 1.579 1.599 -1.759 0.00 0.00 +0.108 A ATOM 5 C LIG 1 0.932 2.577 -2.492 0.00 0.00 +0.180 A ATOM 6 N LIG 1 1.578 3.444 -3.300 0.00 0.00 -0.233 NA ATOM 7 C LIG 1 2.920 3.270 -3.323 0.00 0.00 +0.135 A ATOM 8 C LIG 1 3.640 2.305 -2.612 0.00 0.00 +0.082 A ATOM 9 CL LIG 1 5.357 2.284 -2.807 0.00 0.00 -0.080 Cl ATOM 10 C LIG 1 2.962 1.399 -1.774 0.00 0.00 +0.077 A ATOM 11 N LIG 1 -0.417 2.540 -2.287 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 15 ATOM 12 C LIG 1 -4.539 0.401 0.058 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -4.361 1.433 -0.874 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -3.091 1.797 -1.348 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -1.939 1.142 -0.906 0.00 0.00 +0.017 A ATOM 16 C LIG 1 -2.096 0.113 0.025 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -3.373 -0.245 0.492 0.00 0.00 +0.024 A BRANCH 12 21 ATOM 18 N LIG 1 -8.496 -0.757 1.565 0.00 0.00 -0.300 NA ATOM 19 C LIG 1 -7.526 -1.683 0.941 0.00 0.00 +0.103 C ATOM 20 C LIG 1 -6.047 -1.274 1.131 0.00 0.00 +0.120 C ATOM 21 N LIG 1 -5.791 0.043 0.525 0.00 0.00 -0.327 N ATOM 22 C LIG 1 -6.950 0.942 0.409 0.00 0.00 +0.120 C ATOM 23 C LIG 1 -8.009 0.640 1.498 0.00 0.00 +0.103 C BRANCH 18 25 ATOM 24 C LIG 1 -10.930 -0.370 1.869 0.00 0.00 +0.020 C ATOM 25 C LIG 1 -9.828 -0.938 0.979 0.00 0.00 +0.081 C ENDBRANCH 18 25 ENDBRANCH 12 21 ENDBRANCH 1 15 BRANCH 10 26 ATOM 26 N LIG 1 3.498 0.377 -1.004 0.00 0.00 -0.325 N ATOM 27 C LIG 1 4.359 0.788 0.128 0.00 0.00 +0.120 C ATOM 28 C LIG 1 5.727 0.064 0.127 0.00 0.00 +0.103 C ATOM 29 N LIG 1 5.635 -1.411 0.080 0.00 0.00 -0.294 NA ATOM 30 C LIG 1 4.527 -1.862 -0.792 0.00 0.00 +0.103 C ATOM 31 C LIG 1 3.973 -0.795 -1.762 0.00 0.00 +0.120 C BRANCH 29 32 ATOM 32 C LIG 1 6.911 -2.045 -0.301 0.00 0.00 +0.143 C BRANCH 32 33 ATOM 33 C LIG 1 7.990 -1.803 0.711 0.00 0.00 +0.098 A ATOM 34 N LIG 1 8.085 -2.560 1.814 0.00 0.00 -0.082 NA ATOM 35 O LIG 1 9.182 -2.082 2.508 0.00 0.00 -0.360 OA ATOM 36 C LIG 1 9.744 -1.055 1.817 0.00 0.00 +0.135 A ATOM 37 C LIG 1 10.933 -0.433 2.423 0.00 0.00 +0.089 C ATOM 38 C LIG 1 9.030 -0.842 0.664 0.00 0.00 +0.072 A ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 10 26 TORSDOF 6