REMARK Name = BDB018135 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.662 -2.821 1.873 0.00 0.00 +0.047 C ATOM 2 C LIG 1 -1.033 -1.455 2.429 0.00 0.00 +0.122 C ATOM 3 C LIG 1 -2.161 -0.776 1.659 0.00 0.00 +0.198 C ATOM 4 C LIG 1 -2.064 0.656 2.196 0.00 0.00 +0.252 C ATOM 5 O LIG 1 -0.663 0.907 2.474 0.00 0.00 -0.344 OA ATOM 6 C LIG 1 0.047 -0.358 2.443 0.00 0.00 +0.192 C ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -2.550 1.647 1.246 0.00 0.00 -0.303 N ATOM 8 C LIG 1 -3.820 2.172 1.264 0.00 0.00 +0.148 A ATOM 9 C LIG 1 -3.948 3.025 0.176 0.00 0.00 +0.058 A ATOM 10 C LIG 1 -5.190 3.654 0.011 0.00 0.00 +0.129 A ATOM 11 N LIG 1 -6.166 3.421 0.910 0.00 0.00 -0.220 NA ATOM 12 C LIG 1 -5.902 2.577 1.928 0.00 0.00 +0.225 A ATOM 13 C LIG 1 -2.699 3.020 -0.505 0.00 0.00 +0.033 A ATOM 14 N LIG 1 -4.769 1.897 2.174 0.00 0.00 -0.218 NA ATOM 15 C LIG 1 -1.853 2.174 0.182 0.00 0.00 +0.091 A BRANCH 10 16 ATOM 16 N LIG 1 -5.484 4.512 -1.042 0.00 0.00 -0.343 N ATOM 17 H LIG 1 -6.487 4.630 -1.131 0.00 0.00 +0.144 HD ATOM 18 H LIG 1 -4.980 4.315 -1.895 0.00 0.00 +0.144 HD ENDBRANCH 10 16 ENDBRANCH 4 7 BRANCH 3 19 ATOM 19 O LIG 1 -3.410 -1.415 1.911 0.00 0.00 -0.384 OA ATOM 20 H LIG 1 -3.429 -1.583 2.876 0.00 0.00 +0.210 HD ENDBRANCH 3 19 BRANCH 2 21 ATOM 21 O LIG 1 -1.522 -1.664 3.778 0.00 0.00 -0.383 OA ATOM 22 H LIG 1 -0.789 -2.037 4.302 0.00 0.00 +0.210 HD ENDBRANCH 2 21 BRANCH 6 23 ATOM 23 C LIG 1 1.011 -0.321 1.249 0.00 0.00 +0.263 C BRANCH 23 24 ATOM 24 O LIG 1 1.865 -1.465 1.283 0.00 0.00 -0.489 OA BRANCH 24 25 ATOM 25 C LIG 1 2.623 -1.628 0.154 0.00 0.00 +0.123 A ATOM 26 C LIG 1 3.328 -0.593 -0.465 0.00 0.00 +0.074 A ATOM 27 C LIG 1 4.103 -0.821 -1.594 0.00 0.00 +0.077 A ATOM 28 C LIG 1 4.174 -2.135 -2.109 0.00 0.00 +0.002 A ATOM 29 C LIG 1 4.953 -2.352 -3.250 0.00 0.00 +0.028 A ATOM 30 C LIG 1 5.634 -1.284 -3.825 0.00 0.00 +0.058 A ATOM 31 C LIG 1 5.512 -0.018 -3.250 0.00 0.00 +0.131 A ATOM 32 BR LIG 1 6.693 -1.596 -5.365 0.00 0.00 -0.047 Br ATOM 33 C LIG 1 3.482 -3.181 -1.476 0.00 0.00 +0.013 A ATOM 34 N LIG 1 4.761 0.211 -2.154 0.00 0.00 -0.231 NA ATOM 35 C LIG 1 2.721 -2.927 -0.338 0.00 0.00 +0.046 A BRANCH 31 36 ATOM 36 N LIG 1 6.201 1.095 -3.728 0.00 0.00 -0.342 N ATOM 37 H LIG 1 5.902 1.903 -3.188 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 6.083 1.218 -4.728 0.00 0.00 +0.144 HD ENDBRANCH 31 36 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 8