REMARK Name = BDB020644 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.518 -0.515 -0.902 0.00 0.00 +0.110 A ATOM 2 N LIG 1 -1.433 0.081 0.392 0.00 0.00 -0.304 N ATOM 3 C LIG 1 -0.229 0.395 1.018 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -0.495 0.945 2.255 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -1.897 0.995 2.403 0.00 0.00 +0.018 A ATOM 6 C LIG 1 0.976 0.118 0.320 0.00 0.00 +0.039 A ATOM 7 C LIG 1 0.917 -0.430 -0.909 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -2.444 0.472 1.251 0.00 0.00 +0.103 A ATOM 9 C LIG 1 -0.354 -0.772 -1.558 0.00 0.00 +0.000 A ATOM 10 C LIG 1 -0.277 -1.423 -2.912 0.00 0.00 +0.048 C ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -2.745 1.526 3.595 0.00 0.00 +0.070 A ATOM 12 N LIG 1 -2.322 2.069 4.782 0.00 0.00 -0.267 N ATOM 13 C LIG 1 -0.969 2.283 5.231 0.00 0.00 +0.173 C ATOM 14 N LIG 1 -3.337 2.432 5.597 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 -4.429 2.103 4.907 0.00 0.00 +0.135 A ATOM 16 C LIG 1 -4.123 1.538 3.658 0.00 0.00 +0.049 A ENDBRANCH 5 11 BRANCH 7 17 ATOM 17 C LIG 1 2.227 -0.656 -1.577 0.00 0.00 +0.245 C ATOM 18 N LIG 1 2.761 0.491 -2.107 0.00 0.00 -0.307 N ATOM 19 H LIG 1 2.291 1.378 -1.960 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 2.744 -1.764 -1.631 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 4.084 0.537 -2.685 0.00 0.00 +0.145 C BRANCH 21 22 ATOM 22 C LIG 1 5.059 1.002 -1.644 0.00 0.00 +0.037 A ATOM 23 C LIG 1 5.000 2.472 -1.349 0.00 0.00 +0.254 A ATOM 24 O LIG 1 4.176 3.210 -1.883 0.00 0.00 -0.268 OA ATOM 25 N LIG 1 5.902 2.955 -0.436 0.00 0.00 -0.326 N ATOM 26 H LIG 1 5.844 3.949 -0.253 0.00 0.00 +0.169 HD ATOM 27 C LIG 1 6.825 2.185 0.225 0.00 0.00 +0.016 A ATOM 28 C LIG 1 7.724 2.880 1.200 0.00 0.00 +0.063 C ATOM 29 C LIG 1 6.875 0.869 -0.027 0.00 0.00 +0.024 A ATOM 30 C LIG 1 5.974 0.250 -0.991 0.00 0.00 -0.039 A ATOM 31 C LIG 1 6.165 -1.233 -1.154 0.00 0.00 +0.044 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 7 17 BRANCH 1 32 ATOM 32 N LIG 1 -2.779 -0.812 -1.465 0.00 0.00 -0.313 N BRANCH 32 33 ATOM 33 C LIG 1 -3.694 -1.840 -0.879 0.00 0.00 +0.079 C ATOM 34 C LIG 1 -4.555 -2.528 -1.945 0.00 0.00 +0.050 C ATOM 35 C LIG 1 -5.516 -3.532 -1.311 0.00 0.00 +0.161 C ATOM 36 O LIG 1 -5.091 -3.980 -0.026 0.00 0.00 -0.380 OA ATOM 37 C LIG 1 -3.694 -4.235 0.011 0.00 0.00 +0.161 C ATOM 38 C LIG 1 -2.917 -2.930 -0.107 0.00 0.00 +0.050 C ENDBRANCH 32 33 BRANCH 32 40 ATOM 39 C LIG 1 -4.384 1.068 -1.823 0.00 0.00 +0.024 C ATOM 40 C LIG 1 -3.339 0.152 -2.438 0.00 0.00 +0.103 C ENDBRANCH 32 40 ENDBRANCH 1 32 TORSDOF 7