REMARK Name = BDB026336 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.131 -1.091 -1.284 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 1.026 -1.970 -1.562 0.00 0.00 +0.103 C ATOM 3 C LIG 1 2.367 -1.221 -1.735 0.00 0.00 +0.120 C ATOM 4 N LIG 1 2.706 -0.486 -0.504 0.00 0.00 -0.326 N ATOM 5 C LIG 1 1.569 -0.010 0.305 0.00 0.00 +0.120 C ATOM 6 C LIG 1 0.283 0.122 -0.546 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 4.007 -0.137 -0.192 0.00 0.00 +0.048 A ATOM 8 C LIG 1 4.400 0.283 1.089 0.00 0.00 +0.134 A ATOM 9 N LIG 1 5.655 0.639 1.470 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 6.608 0.574 0.505 0.00 0.00 +0.125 A ATOM 11 C LIG 1 6.353 0.171 -0.794 0.00 0.00 +0.035 A ATOM 12 C LIG 1 5.045 -0.184 -1.133 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 7.998 0.962 0.912 0.00 0.00 +0.262 C ATOM 14 N LIG 1 8.108 1.380 2.222 0.00 0.00 -0.313 N ATOM 15 H LIG 1 7.267 1.290 2.786 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 9.374 1.668 2.836 0.00 0.00 +0.128 C ATOM 17 O LIG 1 8.940 0.892 0.130 0.00 0.00 -0.269 OA ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 C LIG 1 -1.191 -1.847 -0.603 0.00 0.00 +0.119 C BRANCH 18 28 ATOM 19 C LIG 1 -6.960 0.929 0.421 0.00 0.00 +0.106 A ATOM 20 C LIG 1 -6.450 0.418 1.770 0.00 0.00 +0.271 A ATOM 21 O LIG 1 -7.106 0.566 2.790 0.00 0.00 -0.266 OA ATOM 22 N LIG 1 -5.228 -0.203 1.746 0.00 0.00 -0.319 N ATOM 23 H LIG 1 -4.871 -0.549 2.626 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 -4.505 -0.353 0.559 0.00 0.00 +0.068 A ATOM 25 C LIG 1 -5.048 0.142 -0.636 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -4.323 -0.015 -1.816 0.00 0.00 +0.030 A ATOM 27 C LIG 1 -3.079 -0.651 -1.805 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -2.531 -1.138 -0.607 0.00 0.00 -0.031 A ATOM 29 C LIG 1 -3.262 -0.990 0.581 0.00 0.00 +0.032 A ATOM 30 N LIG 1 -6.297 0.787 -0.690 0.00 0.00 -0.245 NA BRANCH 19 32 ATOM 31 C LIG 1 -9.421 0.564 0.349 0.00 0.00 +0.010 C ATOM 32 C LIG 1 -8.312 1.599 0.408 0.00 0.00 +0.057 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 5