REMARK Name = BDB032256 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.893 0.617 -0.077 0.00 0.00 +0.122 A ATOM 2 N LIG 1 0.202 0.143 -1.134 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 -1.102 0.486 -1.267 0.00 0.00 +0.118 A ATOM 4 C LIG 1 -1.790 1.302 -0.382 0.00 0.00 -0.012 A ATOM 5 C LIG 1 -1.082 1.769 0.721 0.00 0.00 +0.010 A ATOM 6 C LIG 1 0.262 1.423 0.873 0.00 0.00 +0.044 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.300 -0.737 -0.223 0.00 0.00 +0.070 A ATOM 8 N LIG 1 5.018 -0.244 -0.097 0.00 0.00 -0.326 N ATOM 9 C LIG 1 4.544 0.910 0.646 0.00 0.00 +0.142 C ATOM 10 C LIG 1 3.174 1.394 0.153 0.00 0.00 +0.128 C ATOM 11 N LIG 1 2.239 0.258 0.095 0.00 0.00 -0.306 N ATOM 12 C LIG 1 2.685 -0.795 -0.848 0.00 0.00 +0.180 C ATOM 13 C LIG 1 4.161 -1.086 -0.770 0.00 0.00 +0.127 A ATOM 14 N LIG 1 4.821 -2.082 -1.321 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 6.130 -1.884 -0.981 0.00 0.00 +0.137 A BRANCH 7 17 ATOM 16 C LIG 1 7.549 -0.214 1.894 0.00 0.00 +0.048 C ATOM 17 C LIG 1 7.540 -0.132 0.367 0.00 0.00 +0.102 C ATOM 18 C LIG 1 8.825 -0.764 -0.182 0.00 0.00 +0.048 C BRANCH 17 19 ATOM 19 O LIG 1 7.542 1.242 -0.016 0.00 0.00 -0.383 OA ATOM 20 H LIG 1 7.593 1.258 -0.988 0.00 0.00 +0.211 HD ENDBRANCH 17 19 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 4 21 ATOM 21 C LIG 1 -3.242 1.624 -0.597 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 -4.042 0.445 -0.302 0.00 0.00 -0.339 N ATOM 23 H LIG 1 -3.723 -0.024 0.543 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 -5.450 0.499 -0.341 0.00 0.00 +0.035 A ATOM 25 C LIG 1 -6.214 -0.629 0.100 0.00 0.00 +0.008 A ATOM 26 C LIG 1 -7.630 -0.582 0.060 0.00 0.00 +0.023 A ATOM 27 C LIG 1 -8.349 -1.698 0.542 0.00 0.00 +0.124 A ATOM 28 N LIG 1 -7.773 -2.823 1.001 0.00 0.00 -0.240 NA ATOM 29 C LIG 1 -6.429 -2.865 0.993 0.00 0.00 +0.113 A ATOM 30 C LIG 1 -8.262 0.560 -0.472 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -7.521 1.629 -0.960 0.00 0.00 +0.003 A ATOM 32 C LIG 1 -5.627 -1.820 0.569 0.00 0.00 +0.030 A ATOM 33 C LIG 1 -6.130 1.591 -0.904 0.00 0.00 +0.023 A BRANCH 27 34 ATOM 34 N LIG 1 -9.749 -1.720 0.573 0.00 0.00 -0.343 N ATOM 35 H LIG 1 -10.102 -0.946 1.123 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 -10.002 -2.614 0.988 0.00 0.00 +0.144 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 7