REMARK Name = BDB016115 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.207 2.189 -0.903 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.479 1.317 -0.180 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.799 1.630 0.112 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -1.362 2.842 -0.293 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -0.527 3.667 -1.026 0.00 0.00 +0.125 A ATOM 6 N LIG 1 0.746 3.369 -1.351 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.445 0.184 -1.169 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.128 0.562 -0.860 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.598 1.815 -1.232 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.450 2.690 -1.931 0.00 0.00 +0.011 A ATOM 11 C LIG 1 4.764 2.334 -2.242 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.259 1.087 -1.861 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 4.775 -4.641 -0.041 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.087 -3.255 -0.288 0.00 0.00 -0.274 N ATOM 15 N LIG 1 6.358 -2.832 -0.172 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.282 -1.532 -0.472 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.965 -1.115 -0.778 0.00 0.00 +0.020 A ATOM 18 C LIG 1 4.216 -2.268 -0.650 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.714 3.254 0.032 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -3.580 3.890 -0.836 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.739 4.087 -0.142 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.947 4.712 -0.624 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.693 3.623 1.119 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.458 3.124 1.227 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.556 0.719 0.873 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.470 0.594 0.442 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -0.925 -0.555 1.237 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -0.903 -1.512 0.028 0.00 0.00 +0.023 C ATOM 29 C LIG 1 -1.058 -2.974 0.440 0.00 0.00 +0.016 C ATOM 30 C LIG 1 -2.385 -3.231 1.173 0.00 0.00 +0.098 C ATOM 31 C LIG 1 -2.861 -2.026 1.994 0.00 0.00 +0.016 C ATOM 32 C LIG 1 -1.698 -1.143 2.435 0.00 0.00 +0.023 C BRANCH 30 33 ATOM 33 C LIG 1 -3.476 -3.638 0.205 0.00 0.00 +0.308 C ATOM 34 O LIG 1 -3.547 -3.365 -0.981 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -4.447 -4.354 0.803 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -5.088 -4.537 0.084 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7