REMARK Name = BDB046175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.358 -1.688 -0.976 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -4.403 -0.874 -0.516 0.00 0.00 +0.174 A ATOM 3 C LIG 1 -4.355 0.503 -0.401 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -5.645 0.861 0.098 0.00 0.00 +0.121 A ATOM 5 N LIG 1 -6.396 -0.236 0.291 0.00 0.00 -0.077 NA ATOM 6 C LIG 1 -3.164 1.159 -0.753 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -2.084 0.392 -1.216 0.00 0.00 +0.047 A ATOM 8 O LIG 1 -5.624 -1.309 -0.104 0.00 0.00 -0.354 OA ATOM 9 C LIG 1 -2.170 -1.003 -1.322 0.00 0.00 +0.127 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -6.167 2.192 0.402 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -5.921 3.276 -0.452 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -6.422 4.545 -0.149 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -7.176 4.740 1.007 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -7.437 3.668 1.858 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -6.938 2.399 1.556 0.00 0.00 +0.010 A ENDBRANCH 4 10 BRANCH 1 16 ATOM 16 C LIG 1 -3.493 -3.186 -1.068 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -1.853 -3.856 0.773 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -3.289 -3.901 0.271 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 9 19 ATOM 19 O LIG 1 -1.146 -1.802 -1.766 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 0.152 -1.219 -1.883 0.00 0.00 +0.229 C BRANCH 20 21 ATOM 21 C LIG 1 1.132 -2.343 -2.215 0.00 0.00 +0.044 C BRANCH 21 22 ATOM 22 C LIG 1 2.563 -1.859 -2.434 0.00 0.00 +0.044 C BRANCH 22 23 ATOM 23 C LIG 1 3.227 -1.323 -1.167 0.00 0.00 +0.229 C BRANCH 23 24 ATOM 24 O LIG 1 4.566 -0.957 -1.503 0.00 0.00 -0.492 OA BRANCH 24 25 ATOM 25 C LIG 1 5.327 -0.407 -0.509 0.00 0.00 +0.121 A ATOM 26 C LIG 1 6.595 0.016 -0.911 0.00 0.00 +0.046 A ATOM 27 C LIG 1 7.478 0.598 0.001 0.00 0.00 +0.008 A ATOM 28 C LIG 1 7.104 0.758 1.341 0.00 0.00 -0.037 A ATOM 29 C LIG 1 5.830 0.335 1.742 0.00 0.00 +0.008 A ATOM 30 C LIG 1 4.948 -0.247 0.824 0.00 0.00 +0.046 A BRANCH 28 31 ATOM 31 C LIG 1 8.049 1.396 2.331 0.00 0.00 +0.155 C BRANCH 31 32 ATOM 32 C LIG 1 7.808 2.870 2.547 0.00 0.00 +0.309 C ATOM 33 O LIG 1 6.899 3.562 2.121 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 8.754 3.420 3.340 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 8.485 4.361 3.404 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 9 19 TORSDOF 13