REMARK Name = BDB015971 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.949 2.276 -0.088 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.104 1.239 0.067 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.187 1.491 0.362 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -1.651 2.799 0.496 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -0.703 3.792 0.319 0.00 0.00 +0.125 A ATOM 6 N LIG 1 0.593 3.566 0.031 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.129 0.314 -0.869 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.796 0.633 -0.561 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.357 1.966 -0.413 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.314 2.981 -0.589 0.00 0.00 +0.011 A ATOM 11 C LIG 1 4.643 2.682 -0.899 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.047 1.355 -1.040 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 4.472 -4.615 -0.368 0.00 0.00 +0.172 C ATOM 14 N LIG 1 4.689 -3.249 -0.776 0.00 0.00 -0.274 N ATOM 15 N LIG 1 5.680 -2.966 -1.639 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 5.598 -1.641 -1.782 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.553 -1.069 -1.017 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.986 -2.151 -0.374 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -3.020 3.152 0.807 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -3.806 3.988 0.041 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -5.011 4.064 0.678 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -6.174 4.802 0.251 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -5.056 3.361 1.824 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.845 2.802 1.898 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.078 0.405 0.447 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -2.636 0.497 1.297 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.493 -0.949 0.398 0.00 0.00 +0.103 C ATOM 28 C LIG 1 -2.484 -1.923 1.084 0.00 0.00 +0.163 C ATOM 29 C LIG 1 -2.008 -3.380 1.001 0.00 0.00 +0.145 C ATOM 30 C LIG 1 -1.716 -3.796 -0.439 0.00 0.00 +0.034 C ATOM 31 C LIG 1 -0.760 -2.827 -1.134 0.00 0.00 +0.004 C ATOM 32 C LIG 1 -1.258 -1.385 -1.054 0.00 0.00 +0.025 C BRANCH 28 33 ATOM 33 O LIG 1 -2.626 -1.552 2.468 0.00 0.00 -0.387 OA ATOM 34 H LIG 1 -1.819 -1.898 2.902 0.00 0.00 +0.210 HD ENDBRANCH 28 33 BRANCH 29 35 ATOM 35 O LIG 1 -0.824 -3.519 1.799 0.00 0.00 -0.389 OA ATOM 36 H LIG 1 -0.597 -4.467 1.808 0.00 0.00 +0.210 HD ENDBRANCH 29 35 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7