REMARK Name = BDB020177 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.114 -1.213 -0.199 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.267 0.075 0.194 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.620 0.444 0.211 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.582 -0.501 -0.181 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.218 -1.797 -0.585 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.861 -2.148 -0.569 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.024 1.797 0.619 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -1.989 2.225 1.968 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -1.542 1.314 3.080 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -2.365 3.542 2.283 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -2.787 4.411 1.283 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -3.145 5.661 1.603 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -2.843 4.002 -0.040 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -2.463 2.701 -0.370 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.461 -0.666 -0.500 0.00 0.00 -0.303 N ATOM 16 H LIG 1 2.161 0.253 -0.790 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 1.538 -1.640 -0.202 0.00 0.00 +0.245 C ATOM 18 O LIG 1 1.820 -2.809 0.029 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.896 -0.926 -0.482 0.00 0.00 +0.125 C BRANCH 19 23 ATOM 20 C LIG 1 4.098 1.231 4.107 0.00 0.00 +0.044 C ATOM 21 C LIG 1 4.612 0.250 3.098 0.00 0.00 -0.047 A ATOM 22 C LIG 1 4.008 0.136 1.842 0.00 0.00 +0.028 A ATOM 23 C LIG 1 4.519 -0.768 0.905 0.00 0.00 +0.062 A ATOM 24 N LIG 1 5.613 -1.529 1.175 0.00 0.00 -0.258 NA ATOM 25 C LIG 1 6.187 -1.398 2.390 0.00 0.00 +0.111 A ATOM 26 C LIG 1 5.734 -0.530 3.369 0.00 0.00 +0.023 A ENDBRANCH 19 23 BRANCH 19 27 ATOM 27 C LIG 1 4.522 -0.053 -1.551 0.00 0.00 +0.015 C ATOM 28 C LIG 1 4.641 1.451 -1.418 0.00 0.00 +0.006 C ATOM 29 C LIG 1 5.882 0.601 -1.445 0.00 0.00 +0.006 C ENDBRANCH 19 27 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -3.260 -2.823 -0.982 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 N LIG 1 -4.301 -2.263 -1.821 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -4.131 -1.821 -3.140 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -3.063 -1.744 -3.850 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -2.266 -2.050 -3.291 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -5.420 -1.475 -3.552 0.00 0.00 -0.320 N ATOM 36 C LIG 1 -5.734 -1.077 -4.902 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -6.331 -1.749 -2.545 0.00 0.00 +0.106 A ATOM 38 C LIG 1 -5.653 -2.224 -1.492 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 7