REMARK Name = BDB015878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.602 1.900 0.578 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.663 1.096 0.041 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.571 1.594 -0.184 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.865 2.928 0.091 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.169 3.667 0.642 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.399 3.186 0.903 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.497 -0.587 0.712 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.238 -0.012 0.473 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.936 1.319 0.834 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.960 2.064 1.447 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.218 1.510 1.691 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.484 0.191 1.327 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 6.748 -4.777 -0.724 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.763 -3.809 -0.307 0.00 0.00 -0.274 N ATOM 15 N LIG 1 4.477 -4.185 -0.189 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 3.862 -3.063 0.198 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.748 -1.968 0.334 0.00 0.00 +0.020 A ATOM 18 C LIG 1 5.977 -2.495 -0.006 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.136 3.568 -0.172 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -2.286 4.698 -0.951 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -3.617 4.998 -0.932 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -4.274 6.082 -1.621 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.341 4.170 -0.161 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.442 3.286 0.285 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.510 0.759 -0.794 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -2.446 0.834 -0.385 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.143 -0.612 -1.128 0.00 0.00 +0.104 C BRANCH 27 28 ATOM 28 C LIG 1 -0.933 -1.545 0.069 0.00 0.00 +0.038 C BRANCH 28 29 ATOM 29 C LIG 1 -2.064 -1.582 1.094 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 N LIG 1 -3.341 -2.015 0.557 0.00 0.00 -0.301 N ATOM 31 C LIG 1 -4.292 -1.139 0.056 0.00 0.00 +0.216 C ATOM 32 O LIG 1 -4.234 0.080 0.095 0.00 0.00 -0.276 OA ATOM 33 C LIG 1 -5.368 -1.954 -0.615 0.00 0.00 +0.097 C ATOM 34 C LIG 1 -5.095 -3.368 -0.110 0.00 0.00 +0.028 C ATOM 35 C LIG 1 -3.603 -3.374 0.160 0.00 0.00 +0.108 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8