REMARK Name = BDB031936 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.101 2.201 -1.081 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.708 0.977 -1.654 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.435 0.474 -1.357 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.472 1.132 -0.539 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.627 0.286 -0.504 0.00 0.00 +0.152 A ATOM 6 N LIG 1 1.438 -0.811 -1.243 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 0.096 2.368 0.017 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.201 -0.672 -1.740 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.158 -1.403 -2.342 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.180 2.881 -0.266 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.459 -1.056 1.304 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.100 0.209 0.815 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.840 0.782 -0.208 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.746 2.086 -0.950 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.467 2.778 -1.374 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.923 2.053 -1.897 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.565 0.842 -1.708 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.392 0.578 -2.220 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.228 2.940 -2.677 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.324 3.353 -0.264 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.945 0.082 -0.714 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.330 -1.161 -0.258 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.568 -1.734 0.766 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.940 -2.811 2.828 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.651 -1.520 2.307 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 2.728 0.618 0.212 0.00 0.00 -0.293 N ATOM 27 H LIG 1 2.709 1.482 0.747 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 3.971 -0.027 0.397 0.00 0.00 +0.095 A ATOM 29 C LIG 1 4.929 0.540 1.256 0.00 0.00 +0.236 A ATOM 30 N LIG 1 6.147 0.014 1.519 0.00 0.00 -0.219 NA ATOM 31 C LIG 1 6.444 -1.146 0.896 0.00 0.00 +0.121 A ATOM 32 C LIG 1 5.587 -1.810 0.026 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.335 -1.224 -0.220 0.00 0.00 +0.036 A BRANCH 29 34 ATOM 34 O LIG 1 4.560 1.734 1.867 0.00 0.00 -0.478 OA ATOM 35 C LIG 1 5.574 2.255 2.721 0.00 0.00 +0.279 C ENDBRANCH 29 34 BRANCH 32 36 ATOM 36 C LIG 1 6.005 -3.102 -0.630 0.00 0.00 +0.143 C ATOM 37 C LIG 1 6.211 -2.951 -2.132 0.00 0.00 +0.043 C BRANCH 36 38 ATOM 38 O LIG 1 5.042 -4.130 -0.405 0.00 0.00 -0.387 OA ATOM 39 H LIG 1 4.441 -3.837 0.302 0.00 0.00 +0.210 HD ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 7