REMARK Name = BDB013036 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.078 0.058 0.204 0.00 0.00 +0.048 A ATOM 2 C LIG 1 0.974 -0.474 -0.534 0.00 0.00 +0.173 A ATOM 3 N LIG 1 -0.240 -0.552 0.103 0.00 0.00 -0.253 N ATOM 4 C LIG 1 -1.084 -1.160 -0.778 0.00 0.00 +0.232 A ATOM 5 N LIG 1 -0.461 -1.372 -1.915 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -0.453 -0.098 1.406 0.00 0.00 +0.203 A ATOM 7 N LIG 1 0.548 0.373 2.095 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.838 -0.940 -1.762 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 1.782 0.433 1.473 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 N LIG 1 5.544 0.602 -0.646 0.00 0.00 -0.269 N ATOM 11 N LIG 1 5.164 0.056 -1.812 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 3.865 -0.202 -1.630 0.00 0.00 +0.143 A ATOM 13 C LIG 1 3.406 0.179 -0.346 0.00 0.00 +0.025 A ATOM 14 C LIG 1 4.530 0.701 0.264 0.00 0.00 +0.117 A BRANCH 10 15 ATOM 15 C LIG 1 6.917 1.018 -0.468 0.00 0.00 +0.171 C BRANCH 15 16 ATOM 16 C LIG 1 7.844 -0.163 -0.227 0.00 0.00 +0.179 C BRANCH 16 17 ATOM 17 O LIG 1 9.184 0.290 -0.042 0.00 0.00 -0.393 OA ATOM 18 H LIG 1 9.542 0.500 -0.923 0.00 0.00 +0.209 HD ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 13 BRANCH 6 19 ATOM 19 N LIG 1 -1.704 -0.157 1.977 0.00 0.00 -0.310 N ATOM 20 H LIG 1 -1.597 0.004 2.978 0.00 0.00 +0.149 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.764 0.725 1.488 0.00 0.00 +0.140 C BRANCH 21 22 ATOM 22 C LIG 1 -4.042 -0.045 1.281 0.00 0.00 -0.024 A ATOM 23 C LIG 1 -4.804 0.092 0.123 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -4.550 0.876 -1.111 0.00 0.00 +0.080 C ATOM 25 C LIG 1 -5.922 0.761 -1.776 0.00 0.00 +0.234 C ATOM 26 O LIG 1 -6.602 -0.400 -1.251 0.00 0.00 -0.491 OA ATOM 27 C LIG 1 -5.982 -0.625 -0.049 0.00 0.00 +0.124 A ATOM 28 C LIG 1 -6.462 -1.496 0.906 0.00 0.00 +0.046 A ATOM 29 C LIG 1 -5.732 -1.633 2.085 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -4.541 -0.911 2.273 0.00 0.00 +0.005 A ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 6 19 TORSDOF 7