REMARK Name = BDB021530 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.308 -0.482 0.614 0.00 0.00 +0.123 A ATOM 2 C LIG 1 3.717 0.531 1.377 0.00 0.00 +0.069 A ATOM 3 C LIG 1 2.351 0.895 1.263 0.00 0.00 +0.045 A ATOM 4 N LIG 1 1.915 1.949 2.081 0.00 0.00 -0.331 N ATOM 5 C LIG 1 0.503 2.108 2.456 0.00 0.00 +0.123 C ATOM 6 C LIG 1 -0.298 0.809 2.467 0.00 0.00 +0.127 C ATOM 7 N LIG 1 -0.757 0.512 1.118 0.00 0.00 -0.293 N ATOM 8 C LIG 1 0.128 0.322 0.066 0.00 0.00 +0.249 C ATOM 9 O LIG 1 -0.238 0.229 -1.106 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.589 3.225 1.796 0.00 0.00 +0.129 C ATOM 11 C LIG 1 1.579 0.145 0.354 0.00 0.00 +0.058 A ATOM 12 C LIG 1 2.184 -0.876 -0.416 0.00 0.00 +0.018 A ATOM 13 C LIG 1 3.536 -1.190 -0.290 0.00 0.00 +0.046 A ENDROOT BRANCH 1 14 ATOM 14 O LIG 1 5.641 -0.700 0.856 0.00 0.00 -0.486 OA BRANCH 14 19 ATOM 15 C LIG 1 10.501 -1.145 -1.336 0.00 0.00 +0.109 C ATOM 16 C LIG 1 9.172 -0.892 -1.994 0.00 0.00 +0.213 C ATOM 17 N LIG 1 8.080 -1.295 -1.273 0.00 0.00 -0.295 N ATOM 18 C LIG 1 7.926 -1.496 0.158 0.00 0.00 +0.154 C ATOM 19 C LIG 1 6.402 -1.488 -0.087 0.00 0.00 +0.208 C ATOM 20 C LIG 1 6.705 -0.855 -1.462 0.00 0.00 +0.154 C ATOM 21 O LIG 1 9.084 -0.354 -3.095 0.00 0.00 -0.276 OA ENDBRANCH 14 19 ENDBRANCH 1 14 BRANCH 7 22 ATOM 22 C LIG 1 -2.206 0.453 0.870 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -2.841 -0.849 1.403 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -2.378 -1.986 0.664 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -2.794 -2.778 1.041 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.391 -0.790 1.425 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -5.059 -0.234 0.233 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -6.509 -0.102 0.487 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -7.310 0.341 -0.718 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -6.800 0.188 -2.018 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.573 0.576 -3.120 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -8.856 1.088 -2.936 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -9.374 1.223 -1.650 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.399 -0.330 -2.218 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -8.606 0.849 -0.546 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -4.846 -1.046 -0.977 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 7