REMARK Name = BDB024798 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.026 -3.851 1.109 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.944 -2.534 0.625 0.00 0.00 -0.234 N ATOM 3 C LIG 1 6.123 -1.672 0.854 0.00 0.00 +0.082 C ATOM 4 C LIG 1 7.304 -2.090 -0.038 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.880 -0.169 0.644 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.501 0.224 1.128 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.507 -0.568 0.329 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.321 0.005 -0.172 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.863 1.295 -0.051 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.706 1.335 -0.681 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.411 0.105 -1.236 0.00 0.00 -0.326 N ATOM 12 C LIG 1 1.427 -0.765 -0.905 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.653 -2.117 -1.173 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.829 -2.682 -0.661 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.748 -1.942 0.098 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.059 -4.346 1.556 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 3.911 -5.843 1.666 0.00 0.00 +0.282 C ATOM 18 O LIG 1 3.842 -4.528 1.115 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -0.749 -0.225 -2.048 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 -2.026 -0.351 -1.216 0.00 0.00 +0.102 C BRANCH 20 21 ATOM 21 N LIG 1 -3.168 -0.699 -2.069 0.00 0.00 -0.312 NA ATOM 22 H LIG 1 -3.330 -1.705 -2.011 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 -4.406 0.009 -1.690 0.00 0.00 +0.115 C BRANCH 23 24 ATOM 24 C LIG 1 -5.008 -0.394 -0.323 0.00 0.00 +0.078 C ATOM 25 C LIG 1 -5.619 -1.825 -0.252 0.00 0.00 +0.036 C ATOM 26 C LIG 1 -6.988 -1.218 -0.599 0.00 0.00 +0.006 C ATOM 27 C LIG 1 -6.457 0.139 -0.108 0.00 0.00 +0.036 C BRANCH 24 28 ATOM 28 O LIG 1 -4.108 -0.080 0.768 0.00 0.00 -0.387 OA ATOM 29 H LIG 1 -3.973 0.893 0.710 0.00 0.00 +0.210 HD ENDBRANCH 24 28 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -0.170 2.545 -0.746 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 -0.721 2.882 0.645 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 -1.680 3.990 0.607 0.00 0.00 -0.315 N ATOM 33 C LIG 1 -3.042 3.707 0.494 0.00 0.00 +0.251 A ATOM 34 O LIG 1 -3.526 2.578 0.427 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -3.951 4.885 0.449 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -3.451 6.126 0.499 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -2.030 6.338 0.599 0.00 0.00 +0.018 A ATOM 38 C LIG 1 -1.200 5.290 0.649 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 10