REMARK Name = BDB034277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.018 0.733 0.200 0.00 0.00 -0.294 NA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.051 -0.383 0.224 0.00 0.00 +0.086 C BRANCH 2 3 ATOM 3 C LIG 1 0.618 -0.535 1.597 0.00 0.00 +0.034 C BRANCH 3 4 ATOM 4 C LIG 1 1.460 -1.809 1.703 0.00 0.00 +0.103 C BRANCH 4 5 ATOM 5 N LIG 1 2.574 -1.842 0.756 0.00 0.00 -0.343 N ATOM 6 H LIG 1 2.262 -1.975 -0.200 0.00 0.00 +0.146 HD BRANCH 5 12 ATOM 7 CL LIG 1 7.678 -0.392 -3.532 0.00 0.00 -0.083 Cl ATOM 8 C LIG 1 6.518 -0.597 -2.278 0.00 0.00 +0.043 A ATOM 9 C LIG 1 6.669 0.085 -1.075 0.00 0.00 +0.048 A ATOM 10 C LIG 1 5.753 -0.060 -0.043 0.00 0.00 +0.074 A ATOM 11 C LIG 1 4.629 -0.906 -0.216 0.00 0.00 +0.021 A ATOM 12 C LIG 1 3.695 -1.005 0.860 0.00 0.00 +0.038 A ATOM 13 C LIG 1 4.005 -0.341 2.048 0.00 0.00 +0.043 A ATOM 14 C LIG 1 5.133 0.454 2.108 0.00 0.00 +0.113 A ATOM 15 C LIG 1 4.506 -1.603 -1.445 0.00 0.00 +0.013 A ATOM 16 N LIG 1 5.992 0.617 1.087 0.00 0.00 -0.255 NA ATOM 17 C LIG 1 5.441 -1.448 -2.468 0.00 0.00 +0.021 A ENDBRANCH 5 12 ENDBRANCH 4 5 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -1.952 0.592 -0.940 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 -2.935 -0.550 -0.767 0.00 0.00 -0.033 A ATOM 20 C LIG 1 -3.023 -1.563 -1.740 0.00 0.00 +0.015 A ATOM 21 C LIG 1 -3.945 -2.616 -1.573 0.00 0.00 -0.000 A ATOM 22 C LIG 1 -4.760 -2.623 -0.442 0.00 0.00 +0.046 A ATOM 23 N LIG 1 -5.557 -3.743 -0.524 0.00 0.00 -0.361 N ATOM 24 H LIG 1 -6.251 -4.002 0.163 0.00 0.00 +0.165 HD ATOM 25 C LIG 1 -5.274 -4.443 -1.667 0.00 0.00 +0.083 A ATOM 26 C LIG 1 -4.701 -1.626 0.537 0.00 0.00 +0.026 A ATOM 27 C LIG 1 -4.279 -3.768 -2.338 0.00 0.00 +0.027 A ATOM 28 C LIG 1 -3.778 -0.592 0.352 0.00 0.00 +0.007 A ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 1 29 ATOM 29 C LIG 1 -0.321 2.035 0.121 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 C LIG 1 -1.220 3.215 0.436 0.00 0.00 -0.033 A ATOM 31 C LIG 1 -1.961 3.250 1.627 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -2.774 4.345 1.925 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -2.849 5.418 1.041 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.111 5.400 -0.142 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -1.298 4.306 -0.443 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 9