REMARK Name = BDB024627 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.155 0.487 0.183 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.079 -0.230 -0.376 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.459 -1.520 -0.981 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.805 -2.554 0.106 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.418 -2.063 -1.955 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.071 -2.163 -1.272 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.691 -0.823 -0.710 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.322 -0.489 -0.580 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.223 -1.264 -0.851 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.829 -0.533 -0.539 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.445 0.743 -0.167 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.937 0.765 -0.130 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.877 1.730 0.225 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.233 1.383 0.117 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.675 0.116 -0.300 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.332 0.232 -0.070 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.340 1.862 0.121 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.090 3.091 -0.767 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -2.170 4.167 -0.580 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -2.782 4.194 0.830 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -1.789 3.675 1.872 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -1.368 2.223 1.615 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -3.933 3.342 0.876 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -5.134 4.006 0.499 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.913 2.111 1.701 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.810 1.441 1.090 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.241 -1.040 -0.588 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -2.328 -2.502 -0.113 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.652 -3.128 -0.530 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.851 -2.804 0.122 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.054 -3.387 -0.279 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.074 -4.291 -1.339 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.892 -4.611 -2.003 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.687 -4.032 -1.604 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -2.110 -2.593 1.396 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -2.112 -1.643 2.168 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -1.951 -3.867 1.838 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -2.028 -4.529 1.123 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8