REMARK Name = BDB021531 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.674 1.693 -0.067 0.00 0.00 +0.123 A ATOM 2 C LIG 1 -2.901 0.790 0.680 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -1.663 0.243 0.249 0.00 0.00 +0.045 A ATOM 4 N LIG 1 -0.984 -0.642 1.090 0.00 0.00 -0.331 N ATOM 5 C LIG 1 0.239 -1.337 0.679 0.00 0.00 +0.123 C ATOM 6 C LIG 1 0.127 -1.914 -0.732 0.00 0.00 +0.127 C ATOM 7 N LIG 1 0.554 -0.942 -1.727 0.00 0.00 -0.293 N ATOM 8 C LIG 1 0.059 0.358 -1.711 0.00 0.00 +0.249 C ATOM 9 O LIG 1 0.649 1.262 -2.311 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.600 -1.129 2.330 0.00 0.00 +0.129 C ATOM 11 C LIG 1 -1.228 0.684 -1.024 0.00 0.00 +0.058 A ATOM 12 C LIG 1 -2.026 1.574 -1.789 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -3.242 2.069 -1.323 0.00 0.00 +0.046 A ENDROOT BRANCH 1 14 ATOM 14 O LIG 1 -4.818 2.106 0.553 0.00 0.00 -0.487 OA BRANCH 14 19 ATOM 15 C LIG 1 -10.073 1.704 0.297 0.00 0.00 +0.109 C ATOM 16 C LIG 1 -8.940 1.941 -0.667 0.00 0.00 +0.213 C ATOM 17 N LIG 1 -7.804 2.510 -0.149 0.00 0.00 -0.298 N ATOM 18 C LIG 1 -6.624 2.734 -0.974 0.00 0.00 +0.152 C ATOM 19 C LIG 1 -5.538 3.213 -0.003 0.00 0.00 +0.192 C ATOM 20 C LIG 1 -6.360 3.834 1.132 0.00 0.00 +0.065 C ATOM 21 C LIG 1 -7.566 2.910 1.227 0.00 0.00 +0.111 C ATOM 22 O LIG 1 -9.049 1.655 -1.860 0.00 0.00 -0.276 OA ENDBRANCH 14 19 ENDBRANCH 1 14 BRANCH 7 23 ATOM 23 C LIG 1 1.812 -1.205 -2.452 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 3.045 -0.646 -1.706 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 3.340 0.665 -2.204 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 2.482 1.149 -2.224 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 4.280 -1.568 -1.859 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 5.161 -1.516 -0.673 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 6.105 -2.650 -0.661 0.00 0.00 +0.120 C ATOM 30 C LIG 1 7.006 -2.637 0.556 0.00 0.00 -0.030 A ATOM 31 C LIG 1 7.292 -1.428 1.216 0.00 0.00 -0.042 A ATOM 32 C LIG 1 8.136 -1.428 2.333 0.00 0.00 +0.004 A ATOM 33 C LIG 1 8.702 -2.621 2.786 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.437 -3.818 2.122 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.631 -0.146 0.765 0.00 0.00 +0.051 C ATOM 36 C LIG 1 7.604 -3.825 1.005 0.00 0.00 +0.005 A ATOM 37 C LIG 1 5.933 -0.261 -0.599 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 7