REMARK Name = BDB004206 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.045 0.547 -0.038 0.00 0.00 +0.006 C ATOM 2 C LIG 1 -0.750 1.350 -1.091 0.00 0.00 +0.024 C ATOM 3 C LIG 1 -2.198 0.882 -1.233 0.00 0.00 +0.108 C ATOM 4 N LIG 1 -2.857 0.962 0.059 0.00 0.00 -0.300 N ATOM 5 C LIG 1 -2.139 0.575 1.265 0.00 0.00 +0.108 C ATOM 6 C LIG 1 -0.887 -0.226 0.911 0.00 0.00 +0.024 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.235 1.011 0.106 0.00 0.00 +0.218 A ATOM 8 N LIG 1 -4.840 1.069 1.303 0.00 0.00 -0.222 NA ATOM 9 C LIG 1 -6.186 1.137 1.331 0.00 0.00 +0.120 A ATOM 10 C LIG 1 -6.984 1.135 0.208 0.00 0.00 -0.003 A ATOM 11 C LIG 1 -6.273 1.069 -0.971 0.00 0.00 +0.120 A ATOM 12 N LIG 1 -4.927 1.016 -1.044 0.00 0.00 -0.222 NA BRANCH 10 13 ATOM 13 C LIG 1 -8.497 1.182 0.223 0.00 0.00 +0.066 C ATOM 14 C LIG 1 -9.198 -0.195 0.360 0.00 0.00 +0.068 C ATOM 15 C LIG 1 -9.159 -0.638 1.826 0.00 0.00 +0.238 C ATOM 16 O LIG 1 -9.855 0.272 2.687 0.00 0.00 -0.491 OA ATOM 17 C LIG 1 -9.666 1.604 2.439 0.00 0.00 +0.128 A ATOM 18 C LIG 1 -10.172 2.473 3.406 0.00 0.00 +0.091 A ATOM 19 C LIG 1 -10.043 3.847 3.240 0.00 0.00 +0.120 A ATOM 20 C LIG 1 -9.417 4.373 2.115 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -8.918 3.506 1.142 0.00 0.00 +0.011 A ATOM 22 C LIG 1 -9.043 2.113 1.292 0.00 0.00 +0.003 A BRANCH 14 23 ATOM 23 C LIG 1 -8.733 -1.234 -0.645 0.00 0.00 -0.040 A ATOM 24 C LIG 1 -9.368 -1.303 -1.897 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -8.955 -2.224 -2.860 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -7.895 -3.085 -2.591 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -7.251 -3.026 -1.357 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -7.666 -2.109 -0.390 0.00 0.00 +0.004 A ENDBRANCH 14 23 BRANCH 19 29 ATOM 29 O LIG 1 -10.549 4.657 4.213 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 -10.377 5.582 3.971 0.00 0.00 +0.292 HD ENDBRANCH 19 29 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 31 ATOM 31 C LIG 1 1.060 -0.392 -0.729 0.00 0.00 +0.088 C BRANCH 31 42 ATOM 32 N LIG 1 9.552 0.508 -0.143 0.00 0.00 -0.282 N ATOM 33 C LIG 1 9.215 -0.418 -1.115 0.00 0.00 +0.248 C ATOM 34 O LIG 1 9.829 -0.714 -2.119 0.00 0.00 -0.270 OA ATOM 35 C LIG 1 7.957 -1.040 -0.691 0.00 0.00 +0.045 A ATOM 36 C LIG 1 7.620 -0.528 0.556 0.00 0.00 -0.016 A ATOM 37 C LIG 1 6.463 -0.944 1.199 0.00 0.00 +0.032 A ATOM 38 C LIG 1 5.611 -1.875 0.572 0.00 0.00 +0.073 A ATOM 39 N LIG 1 4.415 -2.298 1.184 0.00 0.00 -0.318 N ATOM 40 C LIG 1 3.548 -3.121 0.301 0.00 0.00 +0.125 C ATOM 41 C LIG 1 2.652 -2.213 -0.594 0.00 0.00 +0.110 C ATOM 42 N LIG 1 1.843 -1.239 0.189 0.00 0.00 -0.299 NA ATOM 43 C LIG 1 2.748 -0.445 1.055 0.00 0.00 +0.103 C ATOM 44 C LIG 1 4.407 -4.074 -0.528 0.00 0.00 +0.252 C ATOM 45 O LIG 1 5.313 -3.367 -1.379 0.00 0.00 -0.488 OA ATOM 46 C LIG 1 3.620 -1.336 1.973 0.00 0.00 +0.121 C ATOM 47 C LIG 1 6.031 -2.414 -0.685 0.00 0.00 +0.142 A ATOM 48 C LIG 1 7.191 -1.985 -1.335 0.00 0.00 +0.061 A ATOM 49 C LIG 1 8.666 0.431 1.010 0.00 0.00 +0.144 C BRANCH 32 56 ATOM 50 O LIG 1 13.900 0.486 -2.769 0.00 0.00 -0.275 OA ATOM 51 C LIG 1 12.963 0.720 -2.008 0.00 0.00 +0.219 C ATOM 52 N LIG 1 12.939 0.175 -0.752 0.00 0.00 -0.255 N ATOM 53 H LIG 1 13.690 -0.468 -0.546 0.00 0.00 +0.158 HD ATOM 54 C LIG 1 11.969 0.290 0.210 0.00 0.00 +0.240 C ATOM 55 O LIG 1 12.023 -0.385 1.239 0.00 0.00 -0.273 OA ATOM 56 C LIG 1 10.810 1.244 -0.076 0.00 0.00 +0.163 C ATOM 57 C LIG 1 11.077 2.204 -1.233 0.00 0.00 +0.041 C ATOM 58 C LIG 1 11.797 1.583 -2.416 0.00 0.00 +0.098 C ENDBRANCH 32 56 ENDBRANCH 31 42 ENDBRANCH 1 31 TORSDOF 7