REMARK Name = BDB006314 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.436 -0.386 -3.255 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.748 0.531 -2.303 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.311 1.108 -1.123 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.327 1.900 -0.525 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.570 2.618 0.662 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.832 2.518 1.254 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.814 1.714 0.683 0.00 0.00 +0.038 A ATOM 8 N LIG 1 -0.806 1.802 -1.316 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.581 1.024 -0.514 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.559 0.984 -2.403 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.584 0.680 -3.443 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 4.142 1.641 1.329 0.00 0.00 +0.247 C ATOM 13 N LIG 1 4.612 0.402 1.761 0.00 0.00 -0.296 N ATOM 14 C LIG 1 3.836 -0.832 1.729 0.00 0.00 +0.132 C ATOM 15 O LIG 1 4.770 2.691 1.447 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.022 0.291 2.124 0.00 0.00 +0.142 C BRANCH 16 17 ATOM 17 C LIG 1 6.847 -0.310 1.009 0.00 0.00 -0.030 A ATOM 18 C LIG 1 7.279 -1.643 1.072 0.00 0.00 +0.005 A ATOM 19 C LIG 1 8.026 -2.194 0.030 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.346 -1.421 -1.085 0.00 0.00 +0.000 A ATOM 21 C LIG 1 7.920 -0.097 -1.160 0.00 0.00 +0.000 A ATOM 22 C LIG 1 7.173 0.456 -0.119 0.00 0.00 +0.005 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 23 ATOM 23 C LIG 1 -2.062 2.509 -1.057 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 -3.146 1.608 -0.513 0.00 0.00 -0.028 A ATOM 25 C LIG 1 -2.932 0.801 0.613 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -3.954 -0.009 1.119 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -5.221 -0.033 0.518 0.00 0.00 -0.017 A ATOM 28 C LIG 1 -5.437 0.792 -0.597 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -4.417 1.603 -1.104 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 -6.297 -0.893 1.040 0.00 0.00 -0.004 A ATOM 31 C LIG 1 -6.189 -2.295 1.160 0.00 0.00 +0.067 A ATOM 32 C LIG 1 -7.232 -3.053 1.718 0.00 0.00 +0.015 A ATOM 33 C LIG 1 -8.406 -2.433 2.139 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -8.540 -1.054 2.013 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -7.498 -0.295 1.474 0.00 0.00 +0.009 A BRANCH 31 36 ATOM 36 C LIG 1 -4.995 -3.063 0.731 0.00 0.00 +0.337 C ATOM 37 O LIG 1 -4.455 -3.889 1.447 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -4.633 -2.832 -0.547 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 -5.151 -2.139 -0.997 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 8 23 TORSDOF 8