REMARK Name = BDB038700 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.962 -1.069 0.118 0.00 0.00 -0.012 A ATOM 2 C LIG 1 1.679 -0.808 -0.377 0.00 0.00 +0.052 A ATOM 3 C LIG 1 0.675 -0.378 0.484 0.00 0.00 +0.129 A ATOM 4 N LIG 1 0.924 -0.203 1.794 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 2.146 -0.466 2.318 0.00 0.00 +0.047 A ATOM 6 C LIG 1 3.172 -0.914 1.492 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.623 -0.108 0.000 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -1.682 0.360 0.783 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -1.755 0.663 1.958 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.844 0.470 -0.110 0.00 0.00 +0.045 A ATOM 11 C LIG 1 -2.452 0.076 -1.381 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -3.362 0.087 -2.411 0.00 0.00 +0.129 A ATOM 13 C LIG 1 -4.673 0.498 -2.166 0.00 0.00 +0.043 A ATOM 14 C LIG 1 -5.070 0.906 -0.872 0.00 0.00 -0.030 A ATOM 15 F LIG 1 -2.996 -0.294 -3.640 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -4.135 0.882 0.176 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -1.021 -0.315 -1.380 0.00 0.00 +0.154 C BRANCH 14 18 ATOM 18 C LIG 1 -6.497 1.325 -0.606 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 N LIG 1 -7.262 0.214 -0.045 0.00 0.00 -0.309 NA ATOM 20 H LIG 1 -7.215 -0.580 -0.681 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 -8.648 0.582 0.248 0.00 0.00 +0.054 C ATOM 22 C LIG 1 -9.683 -0.503 0.347 0.00 0.00 +0.020 C ATOM 23 C LIG 1 -9.704 0.451 -0.812 0.00 0.00 +0.020 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 25 ATOM 24 C LIG 1 5.299 -0.801 -0.861 0.00 0.00 +0.028 A ATOM 25 C LIG 1 4.057 -1.481 -0.785 0.00 0.00 -0.007 A ATOM 26 C LIG 1 3.875 -2.618 -1.600 0.00 0.00 +0.010 A ATOM 27 C LIG 1 4.882 -3.074 -2.455 0.00 0.00 +0.019 A ATOM 28 C LIG 1 6.105 -2.408 -2.512 0.00 0.00 +0.052 A ATOM 29 C LIG 1 6.312 -1.281 -1.714 0.00 0.00 +0.031 A BRANCH 24 32 ATOM 30 C LIG 1 3.970 2.062 -0.983 0.00 0.00 +0.152 C ATOM 31 N LIG 1 5.009 1.606 -0.101 0.00 0.00 -0.317 N ATOM 32 C LIG 1 5.617 0.376 -0.051 0.00 0.00 +0.164 A ATOM 33 N LIG 1 6.573 0.430 0.859 0.00 0.00 -0.129 NA ATOM 34 N LIG 1 6.559 1.677 1.435 0.00 0.00 -0.138 NA ATOM 35 C LIG 1 5.614 2.371 0.851 0.00 0.00 +0.225 A ENDBRANCH 24 32 BRANCH 28 36 ATOM 36 C LIG 1 7.142 -2.877 -3.383 0.00 0.00 +0.099 C ATOM 37 N LIG 1 7.970 -3.257 -4.102 0.00 0.00 -0.191 NA ENDBRANCH 28 36 ENDBRANCH 1 25 BRANCH 5 38 ATOM 38 C LIG 1 2.313 -0.231 3.805 0.00 0.00 +0.038 C ATOM 39 C LIG 1 3.212 -1.090 4.660 0.00 0.00 +0.010 C ATOM 40 C LIG 1 3.592 0.336 4.377 0.00 0.00 +0.010 C ENDBRANCH 5 38 TORSDOF 8