REMARK Name = BDB023709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.278 2.565 -0.460 0.00 0.00 +0.109 C ATOM 2 N LIG 1 -0.281 1.599 0.346 0.00 0.00 -0.316 N ATOM 3 H LIG 1 0.374 1.147 0.989 0.00 0.00 +0.148 HD ATOM 4 C LIG 1 -1.531 2.127 0.895 0.00 0.00 +0.134 C ATOM 5 C LIG 1 -1.336 2.466 2.375 0.00 0.00 +0.047 C ATOM 6 C LIG 1 -1.631 3.441 0.061 0.00 0.00 +0.265 C ATOM 7 O LIG 1 -2.561 4.236 0.091 0.00 0.00 -0.271 OA ATOM 8 N LIG 1 -0.467 3.616 -0.675 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 11 ATOM 9 C LIG 1 2.490 0.296 -0.052 0.00 0.00 +0.227 C ATOM 10 N LIG 1 2.172 1.067 -1.157 0.00 0.00 -0.289 N ATOM 11 C LIG 1 1.712 2.458 -0.996 0.00 0.00 +0.139 C ATOM 12 C LIG 1 1.823 3.079 -2.396 0.00 0.00 +0.062 C ATOM 13 C LIG 1 2.877 2.227 -3.083 0.00 0.00 +0.134 C ATOM 14 C LIG 1 2.578 0.831 -2.541 0.00 0.00 +0.139 C ATOM 15 O LIG 1 2.161 0.667 1.080 0.00 0.00 -0.275 OA BRANCH 13 16 ATOM 16 O LIG 1 4.172 2.665 -2.671 0.00 0.00 -0.390 OA ATOM 17 H LIG 1 4.829 2.040 -3.028 0.00 0.00 +0.210 HD ENDBRANCH 13 16 BRANCH 9 18 ATOM 18 C LIG 1 3.241 -1.027 -0.278 0.00 0.00 +0.146 C BRANCH 18 23 ATOM 19 C LIG 1 8.085 0.626 -0.499 0.00 0.00 +0.069 C ATOM 20 C LIG 1 6.776 -0.044 -0.664 0.00 0.00 +0.081 A ATOM 21 N LIG 1 6.605 -0.964 -1.621 0.00 0.00 -0.083 NA ATOM 22 O LIG 1 5.298 -1.394 -1.502 0.00 0.00 -0.359 OA ATOM 23 C LIG 1 4.686 -0.717 -0.492 0.00 0.00 +0.150 A ATOM 24 C LIG 1 5.589 0.152 0.075 0.00 0.00 +0.071 A ENDBRANCH 18 23 BRANCH 18 25 ATOM 25 C LIG 1 2.993 -2.057 0.859 0.00 0.00 +0.002 C ATOM 26 C LIG 1 3.312 -3.481 0.383 0.00 0.00 +0.008 C ATOM 27 C LIG 1 3.748 -1.787 2.167 0.00 0.00 +0.008 C ENDBRANCH 18 25 ENDBRANCH 9 18 ENDBRANCH 1 11 BRANCH 4 28 ATOM 28 C LIG 1 -2.699 1.171 0.671 0.00 0.00 -0.016 A ATOM 29 C LIG 1 -4.016 1.587 0.941 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -5.101 0.723 0.763 0.00 0.00 +0.010 A ATOM 31 C LIG 1 -4.896 -0.587 0.321 0.00 0.00 -0.001 A ATOM 32 C LIG 1 -3.594 -1.015 0.045 0.00 0.00 +0.010 A ATOM 33 C LIG 1 -2.510 -0.149 0.222 0.00 0.00 +0.007 A BRANCH 31 34 ATOM 34 C LIG 1 -6.037 -1.494 0.122 0.00 0.00 +0.052 A ATOM 35 N LIG 1 -6.448 -2.369 1.128 0.00 0.00 -0.311 N ATOM 36 C LIG 1 -5.756 -2.398 2.410 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -7.525 -3.242 0.949 0.00 0.00 +0.251 A ATOM 38 O LIG 1 -7.935 -4.042 1.787 0.00 0.00 -0.268 OA ATOM 39 C LIG 1 -8.214 -3.179 -0.368 0.00 0.00 +0.070 A ATOM 40 C LIG 1 -7.798 -2.327 -1.310 0.00 0.00 +0.007 A ATOM 41 C LIG 1 -6.677 -1.460 -1.060 0.00 0.00 +0.026 A ENDBRANCH 31 34 ENDBRANCH 4 28 TORSDOF 7