REMARK Name = BDB051016 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.150 -0.503 1.039 0.00 0.00 +0.034 A ATOM 2 C LIG 1 5.362 0.866 0.820 0.00 0.00 +0.027 A ATOM 3 C LIG 1 4.344 1.627 0.263 0.00 0.00 -0.040 A ATOM 4 C LIG 1 4.378 3.082 -0.091 0.00 0.00 +0.038 C ATOM 5 C LIG 1 2.885 3.395 -0.278 0.00 0.00 +0.045 C ATOM 6 C LIG 1 2.217 2.080 -0.710 0.00 0.00 +0.138 C ATOM 7 C LIG 1 0.744 1.998 -0.305 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.287 2.120 0.824 0.00 0.00 -0.272 OA ATOM 9 N LIG 1 0.019 1.742 -1.439 0.00 0.00 -0.215 N ATOM 10 C LIG 1 0.837 1.618 -2.519 0.00 0.00 +0.310 C ATOM 11 O LIG 1 0.523 1.285 -3.649 0.00 0.00 -0.252 OA ATOM 12 N LIG 1 2.124 1.931 -2.139 0.00 0.00 -0.281 N ATOM 13 H LIG 1 2.891 1.656 -2.737 0.00 0.00 +0.152 HD ATOM 14 C LIG 1 3.121 1.051 -0.093 0.00 0.00 -0.012 A ATOM 15 C LIG 1 2.901 -0.303 0.104 0.00 0.00 +0.008 A ATOM 16 C LIG 1 3.920 -1.075 0.677 0.00 0.00 +0.023 A ENDROOT BRANCH 1 19 ATOM 17 C LIG 1 7.565 -2.982 2.542 0.00 0.00 +0.109 C ATOM 18 C LIG 1 6.249 -2.576 1.926 0.00 0.00 +0.214 C ATOM 19 N LIG 1 6.215 -1.228 1.615 0.00 0.00 -0.286 N ATOM 20 H LIG 1 7.045 -0.693 1.831 0.00 0.00 +0.155 HD ATOM 21 O LIG 1 5.351 -3.396 1.774 0.00 0.00 -0.276 OA ENDBRANCH 1 19 BRANCH 9 22 ATOM 22 C LIG 1 -1.388 1.415 -1.441 0.00 0.00 +0.213 C BRANCH 22 23 ATOM 23 C LIG 1 -1.568 -0.074 -1.099 0.00 0.00 +0.234 C ATOM 24 N LIG 1 -2.874 -0.538 -0.903 0.00 0.00 -0.293 N ATOM 25 O LIG 1 -0.589 -0.820 -1.006 0.00 0.00 -0.274 OA BRANCH 24 26 ATOM 26 C LIG 1 -3.066 -1.983 -0.667 0.00 0.00 +0.076 C ATOM 27 C LIG 1 -4.060 -2.306 0.450 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 -3.483 -2.651 -1.961 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -3.027 -4.055 -2.275 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -2.479 -2.896 -3.060 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 BRANCH 24 31 ATOM 31 C LIG 1 -4.056 0.316 -1.054 0.00 0.00 +0.143 C BRANCH 31 32 ATOM 32 C LIG 1 -4.522 1.016 0.206 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -3.731 1.143 1.358 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -4.206 1.828 2.479 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.475 2.399 2.466 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.272 2.288 1.330 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.798 1.605 0.208 0.00 0.00 +0.005 A ENDBRANCH 31 32 ENDBRANCH 24 31 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 7