REMARK Name = BDB029684 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.690 -0.616 -1.508 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 0.569 -1.415 -2.063 0.00 0.00 +0.103 C ATOM 3 C LIG 1 -0.084 -2.415 -1.074 0.00 0.00 +0.120 C ATOM 4 N LIG 1 -0.508 -1.730 0.169 0.00 0.00 -0.326 N ATOM 5 C LIG 1 0.575 -0.931 0.778 0.00 0.00 +0.120 C ATOM 6 C LIG 1 1.234 0.023 -0.248 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.826 -1.268 0.201 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -2.218 0.021 0.567 0.00 0.00 +0.136 A ATOM 9 N LIG 1 -3.497 0.485 0.614 0.00 0.00 -0.238 NA ATOM 10 C LIG 1 -4.478 -0.377 0.285 0.00 0.00 +0.126 A ATOM 11 C LIG 1 -4.217 -1.690 -0.061 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -2.889 -2.127 -0.098 0.00 0.00 +0.028 A BRANCH 10 13 ATOM 13 N LIG 1 -5.756 0.175 0.370 0.00 0.00 -0.254 N ATOM 14 H LIG 1 -5.721 1.157 0.582 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -6.929 -0.343 -0.108 0.00 0.00 +0.308 C ATOM 16 N LIG 1 -8.066 0.390 0.242 0.00 0.00 -0.281 N ATOM 17 C LIG 1 -9.351 -0.144 -0.218 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -10.452 0.918 -0.194 0.00 0.00 +0.179 C ATOM 19 O LIG 1 -10.553 1.530 1.100 0.00 0.00 -0.377 OA ATOM 20 C LIG 1 -9.316 2.169 1.444 0.00 0.00 +0.179 C ATOM 21 C LIG 1 -8.164 1.161 1.491 0.00 0.00 +0.137 C ATOM 22 O LIG 1 -7.008 -1.352 -0.804 0.00 0.00 -0.252 OA ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 2.892 -1.444 -1.327 0.00 0.00 +0.121 C BRANCH 23 33 ATOM 24 C LIG 1 8.366 1.450 0.703 0.00 0.00 +0.019 A ATOM 25 C LIG 1 8.005 0.380 1.691 0.00 0.00 +0.252 A ATOM 26 O LIG 1 8.685 0.162 2.689 0.00 0.00 -0.268 OA ATOM 27 N LIG 1 6.874 -0.351 1.435 0.00 0.00 -0.321 N ATOM 28 H LIG 1 6.651 -1.070 2.110 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 6.056 -0.133 0.321 0.00 0.00 +0.068 A ATOM 30 C LIG 1 6.380 0.868 -0.593 0.00 0.00 +0.088 A ATOM 31 N LIG 1 5.650 1.145 -1.692 0.00 0.00 -0.253 NA ATOM 32 C LIG 1 4.543 0.388 -1.881 0.00 0.00 +0.116 A ATOM 33 C LIG 1 4.130 -0.636 -1.025 0.00 0.00 -0.013 A ATOM 34 C LIG 1 4.917 -0.898 0.102 0.00 0.00 +0.034 A ATOM 35 C LIG 1 7.576 1.671 -0.363 0.00 0.00 +0.038 A BRANCH 24 37 ATOM 36 C LIG 1 10.877 1.517 0.625 0.00 0.00 +0.009 C ATOM 37 C LIG 1 9.600 2.262 0.986 0.00 0.00 +0.037 C ENDBRANCH 24 37 ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 5