REMARK Name = BDB032749 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.331 -0.944 0.797 0.00 0.00 -0.445 OA ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -1.443 -2.178 0.371 0.00 0.00 -0.251 N ATOM 3 H LIG 1 -0.692 -2.725 -0.029 0.00 0.00 +0.158 HD ATOM 4 C LIG 1 -1.018 -1.010 0.938 0.00 0.00 +0.405 C ATOM 5 O LIG 1 -1.690 -0.149 1.483 0.00 0.00 -0.226 OA BRANCH 2 10 ATOM 6 C LIG 1 -6.710 -4.423 -0.105 0.00 0.00 +0.049 C ATOM 7 C LIG 1 -5.336 -3.824 0.030 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -5.151 -2.573 0.637 0.00 0.00 +0.127 A ATOM 9 C LIG 1 -3.872 -2.020 0.787 0.00 0.00 +0.069 A ATOM 10 C LIG 1 -2.754 -2.678 0.278 0.00 0.00 +0.041 A ATOM 11 C LIG 1 -2.929 -3.905 -0.366 0.00 0.00 +0.044 A ATOM 12 C LIG 1 -4.204 -4.471 -0.486 0.00 0.00 +0.049 A ATOM 13 CL LIG 1 -4.323 -5.992 -1.302 0.00 0.00 -0.083 Cl BRANCH 8 14 ATOM 14 O LIG 1 -6.250 -1.929 1.146 0.00 0.00 -0.487 OA BRANCH 14 15 ATOM 15 C LIG 1 -6.430 -0.610 0.619 0.00 0.00 +0.189 C ATOM 16 C LIG 1 -6.148 0.482 1.666 0.00 0.00 +0.128 C ATOM 17 N LIG 1 -7.408 1.228 1.815 0.00 0.00 -0.302 NA ATOM 18 C LIG 1 -7.201 2.623 2.165 0.00 0.00 +0.105 C ATOM 19 C LIG 1 -8.137 1.054 0.560 0.00 0.00 +0.088 C ATOM 20 C LIG 1 -7.903 -0.415 0.271 0.00 0.00 +0.061 C ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 2 10 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 C LIG 1 0.912 0.240 1.353 0.00 0.00 +0.269 C BRANCH 21 22 ATOM 22 C LIG 1 2.394 0.203 1.077 0.00 0.00 -0.010 A ATOM 23 C LIG 1 2.969 1.098 0.164 0.00 0.00 +0.020 A ATOM 24 C LIG 1 4.332 1.011 -0.050 0.00 0.00 +0.042 A ATOM 25 C LIG 1 5.180 1.815 -0.937 0.00 0.00 +0.248 C ATOM 26 N LIG 1 6.486 1.391 -0.737 0.00 0.00 -0.282 N ATOM 27 C LIG 1 6.550 0.217 0.123 0.00 0.00 +0.144 C ATOM 28 O LIG 1 4.770 2.669 -1.698 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 5.140 0.074 0.589 0.00 0.00 -0.018 A ATOM 30 C LIG 1 4.591 -0.823 1.486 0.00 0.00 +0.006 A ATOM 31 C LIG 1 3.213 -0.752 1.729 0.00 0.00 +0.007 A BRANCH 26 32 ATOM 32 C LIG 1 7.615 1.780 -1.574 0.00 0.00 +0.163 C ATOM 33 C LIG 1 7.566 1.075 -2.939 0.00 0.00 +0.240 C ATOM 34 O LIG 1 7.090 -0.047 -3.106 0.00 0.00 -0.273 OA ATOM 35 N LIG 1 8.205 1.720 -3.973 0.00 0.00 -0.255 N ATOM 36 H LIG 1 8.207 1.236 -4.861 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 8.948 2.872 -3.915 0.00 0.00 +0.219 C ATOM 38 O LIG 1 9.602 3.251 -4.883 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 8.995 3.586 -2.584 0.00 0.00 +0.098 C ATOM 40 C LIG 1 7.755 3.291 -1.756 0.00 0.00 +0.041 C ENDBRANCH 26 32 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 7