REMARK Name = BDB021532 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.427 1.326 -2.154 0.00 0.00 +0.123 A ATOM 2 C LIG 1 -3.839 0.472 -1.217 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -2.437 0.255 -1.114 0.00 0.00 +0.045 A ATOM 4 N LIG 1 -1.981 -0.619 -0.126 0.00 0.00 -0.331 N ATOM 5 C LIG 1 -0.639 -1.208 -0.116 0.00 0.00 +0.123 C ATOM 6 C LIG 1 -0.091 -1.489 -1.514 0.00 0.00 +0.127 C ATOM 7 N LIG 1 0.532 -0.297 -2.074 0.00 0.00 -0.293 N ATOM 8 C LIG 1 -0.151 0.909 -2.137 0.00 0.00 +0.249 C ATOM 9 O LIG 1 0.452 1.969 -2.318 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.672 -0.631 1.168 0.00 0.00 +0.129 C ATOM 11 C LIG 1 -1.636 0.940 -2.052 0.00 0.00 +0.058 A ATOM 12 C LIG 1 -2.226 1.804 -3.000 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -3.604 1.990 -3.051 0.00 0.00 +0.046 A ENDROOT BRANCH 1 14 ATOM 14 O LIG 1 -5.754 1.592 -2.313 0.00 0.00 -0.487 OA BRANCH 14 19 ATOM 15 C LIG 1 -6.123 1.401 2.970 0.00 0.00 +0.109 C ATOM 16 C LIG 1 -6.750 0.254 2.221 0.00 0.00 +0.213 C ATOM 17 N LIG 1 -6.832 0.390 0.854 0.00 0.00 -0.298 N ATOM 18 C LIG 1 -6.530 1.589 0.086 0.00 0.00 +0.152 C ATOM 19 C LIG 1 -6.752 1.188 -1.379 0.00 0.00 +0.192 C ATOM 20 C LIG 1 -7.056 -0.314 -1.383 0.00 0.00 +0.065 C ATOM 21 C LIG 1 -7.508 -0.601 0.038 0.00 0.00 +0.111 C ATOM 22 O LIG 1 -7.146 -0.749 2.811 0.00 0.00 -0.276 OA ENDBRANCH 14 19 ENDBRANCH 1 14 BRANCH 7 23 ATOM 23 C LIG 1 1.987 -0.309 -2.290 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 2.792 0.068 -1.025 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 2.695 1.479 -0.772 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 1.897 1.819 -1.230 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 4.285 -0.306 -1.205 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 5.019 -0.570 0.056 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 6.389 -1.025 -0.265 0.00 0.00 +0.120 C ATOM 30 C LIG 1 7.283 -1.194 0.944 0.00 0.00 -0.030 A ATOM 31 C LIG 1 6.997 -0.531 2.148 0.00 0.00 -0.042 A ATOM 32 C LIG 1 7.858 -0.673 3.244 0.00 0.00 +0.004 A ATOM 33 C LIG 1 9.012 -1.448 3.137 0.00 0.00 +0.000 A ATOM 34 C LIG 1 9.310 -2.091 1.939 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.731 0.274 2.277 0.00 0.00 +0.051 C ATOM 36 C LIG 1 8.452 -1.963 0.846 0.00 0.00 +0.005 A ATOM 37 C LIG 1 5.094 0.619 0.922 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 7