REMARK Name = BDB034202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.291 2.052 1.286 0.00 0.00 +0.190 C ATOM 2 C LIG 1 1.823 1.990 1.573 0.00 0.00 +0.097 C ATOM 3 C LIG 1 2.064 2.282 3.077 0.00 0.00 +0.022 C ATOM 4 C LIG 1 1.116 3.336 3.663 0.00 0.00 +0.002 C ATOM 5 C LIG 1 0.544 4.257 2.596 0.00 0.00 +0.004 C ATOM 6 C LIG 1 -0.223 3.489 1.514 0.00 0.00 +0.046 C ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 2.418 0.681 1.197 0.00 0.00 -0.295 NA ATOM 8 C LIG 1 3.898 0.678 1.286 0.00 0.00 +0.094 C ATOM 9 C LIG 1 3.998 0.971 -0.227 0.00 0.00 +0.047 C ATOM 10 C LIG 1 2.520 0.527 -0.276 0.00 0.00 +0.094 C BRANCH 9 11 ATOM 11 C LIG 1 5.077 0.200 -1.103 0.00 0.00 -0.042 A ATOM 12 C LIG 1 5.201 -1.202 -1.100 0.00 0.00 +0.007 A ATOM 13 C LIG 1 6.156 -1.864 -1.879 0.00 0.00 +0.046 A ATOM 14 C LIG 1 7.031 -1.149 -2.695 0.00 0.00 +0.130 A ATOM 15 C LIG 1 6.936 0.238 -2.721 0.00 0.00 +0.046 A ATOM 16 C LIG 1 5.975 0.893 -1.938 0.00 0.00 +0.007 A BRANCH 14 17 ATOM 17 O LIG 1 7.910 -1.920 -3.399 0.00 0.00 -0.406 OA BRANCH 17 18 ATOM 18 C LIG 1 8.854 -1.260 -4.223 0.00 0.00 +0.575 C ATOM 19 F LIG 1 9.636 -2.189 -4.817 0.00 0.00 -0.133 F ATOM 20 F LIG 1 9.650 -0.445 -3.497 0.00 0.00 -0.133 F ATOM 21 F LIG 1 8.243 -0.545 -5.192 0.00 0.00 -0.133 F ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 2 7 BRANCH 1 22 ATOM 22 O LIG 1 -0.417 1.182 2.199 0.00 0.00 -0.487 OA BRANCH 22 29 ATOM 23 N LIG 1 -5.420 -1.275 0.227 0.00 0.00 -0.282 N ATOM 24 C LIG 1 -4.302 -1.959 -0.218 0.00 0.00 +0.248 C ATOM 25 O LIG 1 -4.250 -2.922 -0.955 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 -3.132 -1.273 0.339 0.00 0.00 +0.042 A ATOM 27 C LIG 1 -3.579 -0.146 1.029 0.00 0.00 -0.015 A ATOM 28 C LIG 1 -2.676 0.693 1.654 0.00 0.00 +0.051 A ATOM 29 C LIG 1 -1.318 0.377 1.556 0.00 0.00 +0.121 A ATOM 30 C LIG 1 -0.877 -0.776 0.883 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -1.795 -1.615 0.250 0.00 0.00 +0.017 A ATOM 32 C LIG 1 -5.064 -0.054 0.939 0.00 0.00 +0.144 C BRANCH 23 39 ATOM 33 O LIG 1 -7.688 -4.141 -3.325 0.00 0.00 -0.275 OA ATOM 34 C LIG 1 -7.408 -3.399 -2.386 0.00 0.00 +0.219 C ATOM 35 N LIG 1 -7.317 -2.046 -2.575 0.00 0.00 -0.255 N ATOM 36 H LIG 1 -7.418 -1.738 -3.532 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 -6.960 -1.080 -1.671 0.00 0.00 +0.240 C ATOM 38 O LIG 1 -6.754 0.077 -2.040 0.00 0.00 -0.273 OA ATOM 39 C LIG 1 -6.790 -1.512 -0.214 0.00 0.00 +0.163 C ATOM 40 C LIG 1 -7.353 -2.900 0.087 0.00 0.00 +0.041 C ATOM 41 C LIG 1 -7.122 -3.929 -1.005 0.00 0.00 +0.098 C ENDBRANCH 23 39 ENDBRANCH 22 29 ENDBRANCH 1 22 TORSDOF 7