REMARK Name = BDB061086 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.740 -1.651 -0.157 0.00 0.00 -0.296 N ATOM 2 C LIG 1 -2.637 -1.645 -1.028 0.00 0.00 +0.243 C ATOM 3 O LIG 1 -2.765 -1.617 -2.251 0.00 0.00 -0.273 OA ATOM 4 C LIG 1 -1.288 -1.749 -0.337 0.00 0.00 +0.217 C ATOM 5 C LIG 1 -0.682 -0.439 0.215 0.00 0.00 +0.148 C ATOM 6 N LIG 1 0.622 -0.435 -0.458 0.00 0.00 -0.254 N ATOM 7 C LIG 1 0.707 -1.547 -1.233 0.00 0.00 +0.186 C ATOM 8 C LIG 1 1.452 0.629 -0.237 0.00 0.00 +0.189 C ATOM 9 N LIG 1 1.026 1.792 0.163 0.00 0.00 -0.226 NA ATOM 10 C LIG 1 -0.335 1.954 0.228 0.00 0.00 +0.120 C ATOM 11 C LIG 1 -1.261 0.964 0.172 0.00 0.00 +0.003 C ATOM 12 C LIG 1 -2.708 1.342 0.278 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -3.754 0.568 0.816 0.00 0.00 -0.019 A ATOM 14 C LIG 1 -5.041 1.141 0.968 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -5.304 2.438 0.537 0.00 0.00 +0.144 A ATOM 16 N LIG 1 -4.343 3.165 -0.072 0.00 0.00 -0.250 NA ATOM 17 C LIG 1 -3.112 2.606 -0.194 0.00 0.00 +0.120 A ATOM 18 N LIG 1 -0.276 -2.391 -1.254 0.00 0.00 -0.261 NA ATOM 19 C LIG 1 -3.651 -0.910 1.101 0.00 0.00 +0.143 C ENDROOT BRANCH 15 20 ATOM 20 C LIG 1 -6.708 3.006 0.696 0.00 0.00 +0.434 C ATOM 21 F LIG 1 -7.600 2.435 -0.165 0.00 0.00 -0.164 F ATOM 22 F LIG 1 -7.217 2.778 1.944 0.00 0.00 -0.164 F ATOM 23 F LIG 1 -6.801 4.351 0.501 0.00 0.00 -0.164 F ENDBRANCH 15 20 BRANCH 1 25 ATOM 24 C LIG 1 -5.309 -3.180 -1.323 0.00 0.00 +0.024 C ATOM 25 C LIG 1 -5.065 -1.781 -0.772 0.00 0.00 +0.105 C ENDBRANCH 1 25 BRANCH 8 26 ATOM 26 N LIG 1 2.776 0.387 -0.466 0.00 0.00 -0.312 N ATOM 27 H LIG 1 3.082 -0.572 -0.374 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 3.792 1.385 -0.197 0.00 0.00 +0.142 C BRANCH 28 29 ATOM 29 C LIG 1 5.157 0.787 -0.384 0.00 0.00 +0.012 A ATOM 30 C LIG 1 5.756 -0.019 0.582 0.00 0.00 +0.005 A ATOM 31 C LIG 1 5.246 -0.477 1.897 0.00 0.00 +0.080 C ATOM 32 C LIG 1 6.542 -1.040 2.482 0.00 0.00 +0.234 C ATOM 33 O LIG 1 7.440 -1.375 1.399 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 7.000 -0.596 0.361 0.00 0.00 +0.124 A ATOM 35 C LIG 1 7.703 -0.408 -0.812 0.00 0.00 +0.049 A ATOM 36 C LIG 1 7.128 0.404 -1.789 0.00 0.00 +0.042 A ATOM 37 C LIG 1 5.872 0.989 -1.571 0.00 0.00 +0.129 A ATOM 38 F LIG 1 5.351 1.754 -2.540 0.00 0.00 -0.205 F ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 8 26 TORSDOF 5