REMARK Name = BDB037595 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.254 -2.121 -0.901 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.705 -1.203 -0.452 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.398 -0.018 0.189 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.631 0.612 0.505 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.647 -0.129 0.037 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 1.009 0.433 0.411 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.861 -0.846 0.610 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.080 -1.218 -0.532 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.585 -1.969 -0.435 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.463 -2.788 -0.733 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.822 1.865 1.265 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.973 2.613 1.053 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.001 2.403 0.075 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.770 3.689 -0.079 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.139 4.700 0.844 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.016 3.109 -1.246 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.177 3.892 1.750 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.966 2.260 2.061 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.768 3.683 3.089 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -4.251 3.539 4.136 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.001 -2.211 -1.072 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -3.564 -1.768 -2.431 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -4.914 -2.415 -2.714 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -4.957 -3.710 -2.125 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -5.015 -3.661 -0.698 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.143 -2.557 -0.106 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.284 -0.625 0.881 0.00 0.00 -0.299 N ATOM 28 H LIG 1 3.595 -0.684 1.844 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 4.207 -0.279 -0.077 0.00 0.00 +0.248 C ATOM 30 O LIG 1 3.940 -0.169 -1.269 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.602 -0.033 0.390 0.00 0.00 +0.082 A ATOM 32 C LIG 1 5.994 -0.050 1.720 0.00 0.00 +0.178 A ATOM 33 O LIG 1 5.208 -0.287 2.812 0.00 0.00 -0.452 OA ATOM 34 C LIG 1 6.168 -0.174 3.885 0.00 0.00 +0.466 C ATOM 35 O LIG 1 7.496 0.136 3.429 0.00 0.00 -0.453 OA ATOM 36 C LIG 1 7.302 0.193 2.083 0.00 0.00 +0.167 A ATOM 37 C LIG 1 8.287 0.464 1.156 0.00 0.00 +0.049 A ATOM 38 C LIG 1 7.924 0.488 -0.190 0.00 0.00 +0.005 A ATOM 39 C LIG 1 6.593 0.242 -0.570 0.00 0.00 +0.017 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 40 ATOM 40 C LIG 1 1.485 1.335 -0.711 0.00 0.00 -0.001 C ATOM 41 C LIG 1 1.018 2.771 -0.814 0.00 0.00 +0.004 C ATOM 42 C LIG 1 2.439 2.476 -0.438 0.00 0.00 +0.004 C ENDBRANCH 6 40 BRANCH 1 44 ATOM 43 C LIG 1 -0.150 -4.563 -1.083 0.00 0.00 +0.025 C ATOM 44 C LIG 1 0.029 -3.238 -1.813 0.00 0.00 +0.112 C ENDBRANCH 1 44 TORSDOF 7