REMARK Name = BDB032684 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.190 -0.733 1.051 0.00 0.00 -0.445 OA ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 1.704 0.180 1.701 0.00 0.00 -0.251 N ATOM 3 H LIG 1 1.010 0.754 2.159 0.00 0.00 +0.158 HD ATOM 4 C LIG 1 1.162 -0.827 0.956 0.00 0.00 +0.405 C ATOM 5 O LIG 1 1.740 -1.687 0.310 0.00 0.00 -0.226 OA BRANCH 2 10 ATOM 6 C LIG 1 7.190 1.612 2.695 0.00 0.00 +0.045 C ATOM 7 C LIG 1 5.757 1.235 2.418 0.00 0.00 -0.028 A ATOM 8 C LIG 1 5.462 0.161 1.543 0.00 0.00 -0.027 A ATOM 9 C LIG 1 4.114 -0.198 1.307 0.00 0.00 +0.028 A ATOM 10 C LIG 1 3.060 0.490 1.902 0.00 0.00 +0.038 A ATOM 11 C LIG 1 3.354 1.559 2.748 0.00 0.00 +0.043 A ATOM 12 C LIG 1 4.681 1.927 3.004 0.00 0.00 +0.046 A ATOM 13 CL LIG 1 4.912 3.269 4.073 0.00 0.00 -0.083 Cl BRANCH 8 14 ATOM 14 C LIG 1 6.536 -0.655 0.834 0.00 0.00 +0.120 C BRANCH 14 15 ATOM 15 N LIG 1 6.428 -0.601 -0.632 0.00 0.00 -0.294 NA ATOM 16 C LIG 1 6.668 0.761 -1.157 0.00 0.00 +0.113 C ATOM 17 C LIG 1 7.119 0.735 -2.625 0.00 0.00 +0.175 C ATOM 18 O LIG 1 8.382 0.076 -2.799 0.00 0.00 -0.377 OA ATOM 19 C LIG 1 8.614 -0.959 -1.835 0.00 0.00 +0.175 C ATOM 20 C LIG 1 7.319 -1.580 -1.288 0.00 0.00 +0.113 C ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 2 10 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 C LIG 1 -0.889 -1.733 0.306 0.00 0.00 +0.269 C BRANCH 21 22 ATOM 22 C LIG 1 -2.365 -1.523 0.534 0.00 0.00 -0.010 A ATOM 23 C LIG 1 -3.126 -0.785 -0.383 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -4.470 -0.610 -0.110 0.00 0.00 +0.042 A ATOM 25 C LIG 1 -5.486 0.102 -0.894 0.00 0.00 +0.248 C ATOM 26 N LIG 1 -6.663 0.059 -0.159 0.00 0.00 -0.282 N ATOM 27 C LIG 1 -6.537 -0.792 1.016 0.00 0.00 +0.144 C ATOM 28 O LIG 1 -5.292 0.603 -1.984 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 -5.085 -1.129 1.026 0.00 0.00 -0.018 A ATOM 30 C LIG 1 -4.349 -1.853 1.946 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -2.984 -2.042 1.697 0.00 0.00 +0.007 A BRANCH 26 32 ATOM 32 C LIG 1 -7.971 0.445 -0.679 0.00 0.00 +0.163 C ATOM 33 C LIG 1 -8.518 -0.613 -1.651 0.00 0.00 +0.240 C ATOM 34 O LIG 1 -8.271 -1.815 -1.555 0.00 0.00 -0.273 OA ATOM 35 N LIG 1 -9.419 -0.162 -2.588 0.00 0.00 -0.255 N ATOM 36 H LIG 1 -9.806 -0.866 -3.202 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 -9.944 1.099 -2.713 0.00 0.00 +0.219 C ATOM 38 O LIG 1 -10.857 1.329 -3.502 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 -9.412 2.154 -1.771 0.00 0.00 +0.098 C ATOM 40 C LIG 1 -7.994 1.830 -1.325 0.00 0.00 +0.041 C ENDBRANCH 26 32 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 7