REMARK Name = BDB020424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.491 -0.695 1.392 0.00 0.00 +0.152 A ATOM 2 C LIG 1 1.130 -0.659 1.068 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.198 -0.375 -0.021 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.118 -0.635 0.640 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -1.007 -1.056 2.094 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -1.529 -2.474 2.337 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -1.617 -0.028 3.053 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.224 -0.521 -0.164 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -3.425 -0.810 0.401 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -3.515 -0.791 1.399 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -2.133 -0.201 -1.348 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 0.469 -1.025 2.197 0.00 0.00 +0.066 A ATOM 13 N LIG 1 1.394 -1.262 3.146 0.00 0.00 -0.277 N ATOM 14 H LIG 1 1.284 -1.552 4.113 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 2.643 -1.065 2.672 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 4.860 -0.401 0.827 0.00 0.00 +0.223 C ATOM 17 N LIG 1 3.511 -0.402 0.512 0.00 0.00 -0.268 N ATOM 18 H LIG 1 3.225 -0.181 -0.430 0.00 0.00 +0.156 HD ATOM 19 O LIG 1 5.362 -0.606 1.927 0.00 0.00 -0.275 OA BRANCH 16 23 ATOM 20 C LIG 1 6.242 2.890 -2.519 0.00 0.00 +0.239 C ATOM 21 N LIG 1 6.606 1.952 -1.565 0.00 0.00 -0.297 N ATOM 22 C LIG 1 5.569 1.444 -0.670 0.00 0.00 +0.120 C ATOM 23 C LIG 1 5.728 -0.056 -0.386 0.00 0.00 +0.093 C ATOM 24 C LIG 1 7.201 -0.471 -0.196 0.00 0.00 +0.016 C ATOM 25 C LIG 1 8.112 0.735 0.013 0.00 0.00 +0.020 C ATOM 26 C LIG 1 7.994 1.698 -1.169 0.00 0.00 +0.108 C ATOM 27 O LIG 1 5.092 3.283 -2.688 0.00 0.00 -0.271 OA BRANCH 20 29 ATOM 28 C LIG 1 7.975 2.731 -4.258 0.00 0.00 +0.013 C ATOM 29 C LIG 1 7.317 3.471 -3.357 0.00 0.00 +0.060 C ENDBRANCH 20 29 ENDBRANCH 16 23 ENDBRANCH 1 17 BRANCH 9 30 ATOM 30 C LIG 1 -4.681 -0.707 -0.343 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 C LIG 1 -5.703 -1.585 0.371 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -6.674 -1.077 1.247 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.561 -1.933 1.905 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.485 -3.310 1.706 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.520 -3.834 0.851 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.636 -2.979 0.190 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -5.073 0.795 -0.553 0.00 0.00 +0.111 C BRANCH 37 38 ATOM 38 N LIG 1 -6.360 1.065 -1.234 0.00 0.00 -0.306 NA ATOM 39 C LIG 1 -6.365 0.542 -2.601 0.00 0.00 +0.104 C ATOM 40 C LIG 1 -6.624 2.506 -1.252 0.00 0.00 +0.104 C ENDBRANCH 37 38 ENDBRANCH 30 37 ENDBRANCH 9 30 TORSDOF 7