REMARK Name = BDB019878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.666 0.889 -0.173 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.436 0.802 0.486 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.323 -0.374 0.416 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.163 -1.470 -0.307 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.397 -1.398 -0.975 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -2.141 -0.211 -0.900 0.00 0.00 +0.013 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -4.091 3.487 0.307 0.00 0.00 -0.271 N ATOM 8 N LIG 1 -3.156 4.274 -0.252 0.00 0.00 -0.167 NA ATOM 9 C LIG 1 -2.124 3.442 -0.511 0.00 0.00 +0.173 A ATOM 10 C LIG 1 -2.440 2.110 -0.111 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -3.718 2.179 0.399 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 -0.842 3.906 -1.151 0.00 0.00 +0.437 C ATOM 13 F LIG 1 0.191 3.915 -0.266 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -0.465 3.092 -2.176 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -0.918 5.161 -1.671 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 -5.258 4.679 2.119 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -5.352 4.061 0.736 0.00 0.00 +0.140 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 1.619 -0.418 1.151 0.00 0.00 +0.244 C ATOM 19 N LIG 1 2.573 -1.293 0.674 0.00 0.00 -0.311 N ATOM 20 H LIG 1 2.408 -1.794 -0.189 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 1.800 0.323 2.111 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 3.892 -1.390 1.265 0.00 0.00 +0.108 C BRANCH 22 23 ATOM 23 C LIG 1 4.971 -0.592 0.517 0.00 0.00 +0.010 C ATOM 24 C LIG 1 5.192 -1.103 -0.914 0.00 0.00 +0.033 C ATOM 25 C LIG 1 6.255 -0.268 -1.618 0.00 0.00 +0.160 C ATOM 26 O LIG 1 5.897 1.113 -1.617 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 5.785 1.643 -0.295 0.00 0.00 +0.160 C ATOM 28 C LIG 1 4.696 0.918 0.487 0.00 0.00 +0.033 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 5 29 ATOM 29 C LIG 1 -1.915 -2.588 -1.753 0.00 0.00 +0.144 C BRANCH 29 30 ATOM 30 N LIG 1 -2.336 -3.663 -0.885 0.00 0.00 -0.278 N ATOM 31 C LIG 1 -1.519 -4.647 -0.438 0.00 0.00 +0.278 C ATOM 32 N LIG 1 -0.328 -4.948 -0.793 0.00 0.00 -0.253 NA ATOM 33 H LIG 1 -0.063 -5.755 -0.217 0.00 0.00 +0.191 HD ATOM 34 O LIG 1 -2.119 -5.369 0.544 0.00 0.00 -0.464 OA ATOM 35 C LIG 1 -3.467 -4.883 0.673 0.00 0.00 +0.251 C ATOM 36 C LIG 1 -3.484 -3.532 -0.028 0.00 0.00 +0.151 C ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 8