REMARK Name = BDB013112 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.619 -0.340 0.209 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -1.417 -1.410 -0.280 0.00 0.00 +0.173 A ATOM 3 N LIG 1 -2.779 -1.301 -0.134 0.00 0.00 -0.253 N ATOM 4 C LIG 1 -3.295 -2.453 -0.652 0.00 0.00 +0.232 A ATOM 5 N LIG 1 -2.323 -3.208 -1.114 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -3.407 -0.192 0.449 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.668 0.791 0.890 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -1.137 -2.551 -0.877 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 -1.298 0.696 0.752 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 3.647 -0.235 -0.151 0.00 0.00 +0.121 A ATOM 11 N LIG 1 2.881 -0.665 -1.176 0.00 0.00 -0.240 NA ATOM 12 C LIG 1 1.532 -0.699 -1.018 0.00 0.00 +0.121 A ATOM 13 C LIG 1 0.857 -0.284 0.123 0.00 0.00 +0.005 A ATOM 14 C LIG 1 1.656 0.164 1.175 0.00 0.00 +0.013 A ATOM 15 C LIG 1 3.047 0.194 1.033 0.00 0.00 +0.044 A BRANCH 10 19 ATOM 16 N LIG 1 7.856 -1.001 -0.770 0.00 0.00 -0.297 NA ATOM 17 C LIG 1 7.040 -0.235 -1.730 0.00 0.00 +0.103 C ATOM 18 C LIG 1 5.528 -0.544 -1.650 0.00 0.00 +0.122 C ATOM 19 N LIG 1 5.028 -0.186 -0.314 0.00 0.00 -0.313 N ATOM 20 C LIG 1 5.883 -0.569 0.823 0.00 0.00 +0.122 C ATOM 21 C LIG 1 7.080 -1.456 0.395 0.00 0.00 +0.103 C BRANCH 16 22 ATOM 22 C LIG 1 9.130 -0.357 -0.443 0.00 0.00 +0.112 C BRANCH 22 23 ATOM 23 C LIG 1 9.085 0.895 0.450 0.00 0.00 +0.171 C BRANCH 23 24 ATOM 24 O LIG 1 10.399 1.413 0.645 0.00 0.00 -0.394 OA ATOM 25 H LIG 1 10.734 1.691 -0.225 0.00 0.00 +0.209 HD ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 10 19 ENDBRANCH 1 13 BRANCH 6 26 ATOM 26 N LIG 1 -4.780 -0.168 0.541 0.00 0.00 -0.310 N ATOM 27 H LIG 1 -5.330 -0.778 -0.052 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 -5.489 1.012 0.997 0.00 0.00 +0.140 C BRANCH 28 29 ATOM 29 C LIG 1 -6.969 0.746 0.946 0.00 0.00 -0.024 A ATOM 30 C LIG 1 -7.744 1.068 -0.165 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -7.358 1.676 -1.462 0.00 0.00 +0.080 C ATOM 32 C LIG 1 -8.749 1.984 -2.017 0.00 0.00 +0.234 C ATOM 33 O LIG 1 -9.712 1.116 -1.379 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 -9.096 0.754 -0.209 0.00 0.00 +0.124 A ATOM 35 C LIG 1 -9.736 0.112 0.830 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -8.983 -0.217 1.956 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -7.613 0.094 2.013 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 6 26 TORSDOF 8