REMARK Name = BDB021572 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.074 0.109 -0.754 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -2.125 0.839 -0.028 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -0.948 0.255 0.487 0.00 0.00 +0.134 A ATOM 4 O LIG 1 -0.218 1.184 1.161 0.00 0.00 -0.484 OA ATOM 5 C LIG 1 1.107 0.960 1.645 0.00 0.00 +0.121 C ATOM 6 C LIG 1 1.946 0.063 0.725 0.00 0.00 +0.155 C ATOM 7 N LIG 1 1.677 -1.348 0.948 0.00 0.00 -0.291 N ATOM 8 C LIG 1 0.435 -1.924 0.743 0.00 0.00 +0.250 C ATOM 9 O LIG 1 0.268 -3.134 0.905 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.753 2.359 1.650 0.00 0.00 +0.057 C ATOM 11 C LIG 1 1.031 0.469 3.098 0.00 0.00 +0.057 C ATOM 12 C LIG 1 -0.717 -1.105 0.266 0.00 0.00 +0.079 A ATOM 13 C LIG 1 -1.675 -1.839 -0.470 0.00 0.00 +0.017 A ATOM 14 C LIG 1 -2.831 -1.244 -0.979 0.00 0.00 +0.006 A ENDROOT BRANCH 1 15 ATOM 15 C LIG 1 -4.314 0.782 -1.303 0.00 0.00 +0.119 C BRANCH 15 21 ATOM 16 C LIG 1 -10.729 0.325 -0.170 0.00 0.00 +0.109 C ATOM 17 C LIG 1 -9.549 0.800 0.640 0.00 0.00 +0.213 C ATOM 18 N LIG 1 -8.297 0.642 0.074 0.00 0.00 -0.299 N ATOM 19 C LIG 1 -7.111 1.021 0.843 0.00 0.00 +0.123 C ATOM 20 C LIG 1 -5.884 0.162 0.485 0.00 0.00 +0.103 C ATOM 21 N LIG 1 -5.558 0.080 -0.957 0.00 0.00 -0.295 NA ATOM 22 C LIG 1 -6.669 0.542 -1.809 0.00 0.00 +0.103 C ATOM 23 C LIG 1 -8.052 0.127 -1.275 0.00 0.00 +0.123 C ATOM 24 O LIG 1 -9.719 1.310 1.747 0.00 0.00 -0.276 OA ENDBRANCH 15 21 ENDBRANCH 1 15 BRANCH 7 25 ATOM 25 C LIG 1 2.799 -2.214 1.317 0.00 0.00 +0.140 C BRANCH 25 26 ATOM 26 C LIG 1 3.386 -3.024 0.144 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 4.305 -4.012 0.634 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 3.784 -4.625 1.183 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 4.063 -2.161 -0.949 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 4.957 -1.076 -0.489 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 5.317 -0.214 -1.634 0.00 0.00 +0.120 C ATOM 32 C LIG 1 6.314 0.870 -1.287 0.00 0.00 -0.030 A ATOM 33 C LIG 1 7.157 0.739 -0.171 0.00 0.00 -0.042 A ATOM 34 C LIG 1 8.096 1.739 0.115 0.00 0.00 +0.004 A ATOM 35 C LIG 1 8.216 2.850 -0.718 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.396 2.974 -1.837 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.003 -0.442 0.752 0.00 0.00 +0.051 C ATOM 38 C LIG 1 6.452 1.988 -2.123 0.00 0.00 +0.005 A ATOM 39 C LIG 1 6.190 -1.590 0.133 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 7