REMARK Name = BDB022683 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.065 0.585 1.175 0.00 0.00 -0.309 N ATOM 2 H LIG 1 0.375 1.406 0.774 0.00 0.00 +0.149 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.366 0.426 0.744 0.00 0.00 +0.221 A ATOM 4 N LIG 1 -2.117 -0.744 0.954 0.00 0.00 -0.183 N ATOM 5 C LIG 1 -3.406 -0.829 0.502 0.00 0.00 +0.166 A ATOM 6 C LIG 1 -3.860 -2.082 0.864 0.00 0.00 +0.019 A ATOM 7 C LIG 1 -2.753 -2.665 1.531 0.00 0.00 +0.141 A ATOM 8 N LIG 1 -3.967 0.214 -0.156 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 -3.236 1.281 -0.335 0.00 0.00 +0.220 A ATOM 10 N LIG 1 -1.689 -1.859 1.590 0.00 0.00 -0.170 NA ATOM 11 N LIG 1 -1.937 1.415 0.108 0.00 0.00 -0.181 NA BRANCH 6 12 ATOM 12 C LIG 1 -5.212 -2.672 0.603 0.00 0.00 +0.018 C ATOM 13 C LIG 1 -5.948 -2.995 1.905 0.00 0.00 +0.012 C ATOM 14 C LIG 1 -5.123 -3.914 -0.286 0.00 0.00 +0.012 C ENDBRANCH 6 12 BRANCH 9 15 ATOM 15 N LIG 1 -3.713 2.382 -0.986 0.00 0.00 -0.310 N ATOM 16 H LIG 1 -3.105 3.183 -0.869 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 -5.111 2.685 -1.244 0.00 0.00 +0.077 C ATOM 18 C LIG 1 -5.728 1.727 -2.270 0.00 0.00 +0.050 C ATOM 19 C LIG 1 -7.192 1.454 -1.959 0.00 0.00 +0.161 C ATOM 20 O LIG 1 -7.822 2.662 -1.544 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -7.383 3.104 -0.259 0.00 0.00 +0.161 C ATOM 22 C LIG 1 -5.926 2.763 0.044 0.00 0.00 +0.050 C ENDBRANCH 15 17 ENDBRANCH 9 15 ENDBRANCH 1 3 BRANCH 1 23 ATOM 23 C LIG 1 0.851 -0.492 1.482 0.00 0.00 +0.139 C BRANCH 23 26 ATOM 24 C LIG 1 4.427 0.638 0.752 0.00 0.00 +0.034 A ATOM 25 C LIG 1 3.152 0.088 0.599 0.00 0.00 +0.028 A ATOM 26 C LIG 1 2.239 0.080 1.668 0.00 0.00 -0.029 A ATOM 27 C LIG 1 2.612 0.651 2.892 0.00 0.00 +0.005 A ATOM 28 C LIG 1 3.881 1.201 3.052 0.00 0.00 +0.002 A ATOM 29 C LIG 1 4.784 1.193 1.987 0.00 0.00 +0.023 A BRANCH 24 31 ATOM 30 C LIG 1 5.308 0.170 -1.552 0.00 0.00 +0.235 C ATOM 31 N LIG 1 5.395 0.678 -0.268 0.00 0.00 -0.284 N ATOM 32 H LIG 1 6.293 1.101 -0.024 0.00 0.00 +0.155 HD ATOM 33 O LIG 1 4.350 -0.417 -2.047 0.00 0.00 -0.274 OA BRANCH 30 34 ATOM 34 C LIG 1 6.580 0.422 -2.372 0.00 0.00 +0.203 C BRANCH 34 36 ATOM 35 C LIG 1 8.486 0.208 -0.863 0.00 0.00 +0.239 C ATOM 36 N LIG 1 7.722 -0.349 -1.871 0.00 0.00 -0.292 N ATOM 37 C LIG 1 7.832 -1.718 -2.359 0.00 0.00 +0.133 C ATOM 38 O LIG 1 8.135 1.229 -0.271 0.00 0.00 -0.271 OA BRANCH 35 40 ATOM 39 C LIG 1 10.355 -0.241 0.661 0.00 0.00 +0.013 C ATOM 40 C LIG 1 9.761 -0.472 -0.517 0.00 0.00 +0.060 C ENDBRANCH 35 40 ENDBRANCH 34 36 ENDBRANCH 30 34 ENDBRANCH 24 31 ENDBRANCH 23 26 ENDBRANCH 1 23 TORSDOF 10