REMARK Name = BDB065386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.854 -1.147 2.836 0.00 0.00 -0.251 N ATOM 2 N LIG 1 -1.271 -1.803 1.741 0.00 0.00 -0.065 NA ATOM 3 N LIG 1 -0.474 -1.450 0.743 0.00 0.00 -0.130 NA ATOM 4 C LIG 1 0.470 -0.576 1.228 0.00 0.00 +0.113 A ATOM 5 C LIG 1 0.241 -0.379 2.573 0.00 0.00 +0.138 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 1.512 0.021 0.412 0.00 0.00 +0.004 A ATOM 7 C LIG 1 2.507 0.843 0.958 0.00 0.00 +0.010 A ATOM 8 C LIG 1 3.498 1.403 0.145 0.00 0.00 +0.006 A ATOM 9 C LIG 1 3.516 1.156 -1.234 0.00 0.00 -0.028 A ATOM 10 C LIG 1 2.526 0.334 -1.784 0.00 0.00 +0.006 A ATOM 11 C LIG 1 1.536 -0.226 -0.969 0.00 0.00 +0.010 A BRANCH 9 12 ATOM 12 C LIG 1 4.600 1.753 -2.104 0.00 0.00 +0.161 C BRANCH 12 13 ATOM 13 N LIG 1 5.885 1.077 -1.938 0.00 0.00 -0.294 N ATOM 14 C LIG 1 6.852 1.661 -1.118 0.00 0.00 +0.350 A ATOM 15 O LIG 1 6.643 2.726 -0.541 0.00 0.00 -0.244 OA ATOM 16 N LIG 1 8.051 1.010 -0.963 0.00 0.00 -0.178 NA ATOM 17 C LIG 1 8.258 -0.126 -1.555 0.00 0.00 +0.126 A ATOM 18 C LIG 1 7.253 -0.794 -2.422 0.00 0.00 +0.005 A ATOM 19 C LIG 1 7.563 -2.096 -3.079 0.00 0.00 +0.049 C ATOM 20 C LIG 1 6.103 -0.130 -2.563 0.00 0.00 +0.097 A BRANCH 17 21 ATOM 21 N LIG 1 9.484 -0.695 -1.326 0.00 0.00 -0.343 N ATOM 22 H LIG 1 9.502 -1.702 -1.229 0.00 0.00 +0.144 HD ATOM 23 H LIG 1 9.967 -0.226 -0.565 0.00 0.00 +0.144 HD ENDBRANCH 17 21 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 4 6 BRANCH 1 24 ATOM 24 C LIG 1 -1.542 -1.310 4.093 0.00 0.00 +0.145 C BRANCH 24 25 ATOM 25 C LIG 1 -2.534 -0.189 4.421 0.00 0.00 +0.024 C BRANCH 25 26 ATOM 26 C LIG 1 -3.745 -0.131 3.482 0.00 0.00 +0.006 C BRANCH 26 27 ATOM 27 C LIG 1 -3.555 0.852 2.321 0.00 0.00 +0.035 C BRANCH 27 31 ATOM 28 C LIG 1 -6.787 0.522 -0.528 0.00 0.00 +0.059 A ATOM 29 C LIG 1 -6.886 1.409 0.552 0.00 0.00 +0.015 A ATOM 30 C LIG 1 -5.841 1.521 1.473 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -4.682 0.752 1.323 0.00 0.00 -0.047 A ATOM 32 C LIG 1 -4.586 -0.139 0.246 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -5.630 -0.253 -0.676 0.00 0.00 +0.015 A BRANCH 28 34 ATOM 34 C LIG 1 -7.930 0.442 -1.478 0.00 0.00 +0.339 C ATOM 35 O LIG 1 -8.956 1.095 -1.357 0.00 0.00 -0.245 OA BRANCH 34 37 ATOM 36 C LIG 1 -8.723 -0.571 -3.427 0.00 0.00 +0.280 C ATOM 37 O LIG 1 -7.668 -0.441 -2.474 0.00 0.00 -0.464 OA ENDBRANCH 34 37 ENDBRANCH 28 34 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 11