REMARK Name = BDB038606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.577 -0.262 1.180 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.073 0.420 2.240 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.412 0.580 2.365 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.290 0.051 1.423 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.797 -0.644 0.317 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.410 -0.798 0.209 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.362 -1.096 0.518 0.00 0.00 -0.033 A ATOM 8 C LIG 1 3.116 -1.434 -0.034 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.981 -0.929 0.573 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.571 -1.123 0.205 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.178 -0.397 1.121 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.651 0.266 2.113 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.226 -1.823 -0.729 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.034 -0.112 1.698 0.00 0.00 -0.018 A ATOM 15 C LIG 1 3.250 0.232 2.258 0.00 0.00 +0.006 A ATOM 16 C LIG 1 4.416 -0.265 1.662 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.638 -1.622 -0.108 0.00 0.00 +0.119 C BRANCH 17 19 ATOM 18 C LIG 1 6.919 -1.931 -2.131 0.00 0.00 +0.105 C ATOM 19 N LIG 1 5.838 -1.186 -1.496 0.00 0.00 -0.301 NA BRANCH 19 20 ATOM 20 C LIG 1 5.950 0.269 -1.684 0.00 0.00 +0.088 C BRANCH 20 21 ATOM 21 C LIG 1 7.127 0.943 -0.982 0.00 0.00 +0.003 C ATOM 22 C LIG 1 7.207 2.479 -1.220 0.00 0.00 +0.005 C ATOM 23 C LIG 1 8.741 2.333 -1.193 0.00 0.00 +0.001 C ATOM 24 C LIG 1 8.536 0.872 -1.638 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 25 ATOM 25 C LIG 1 -4.699 -1.218 -0.701 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -5.560 -0.436 -1.508 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -6.373 -1.062 -2.473 0.00 0.00 +0.031 A ATOM 28 C LIG 1 -6.357 -2.451 -2.635 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -5.522 -3.228 -1.836 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -4.702 -2.617 -0.885 0.00 0.00 +0.010 A BRANCH 26 31 ATOM 31 C LIG 1 -5.605 1.023 -1.404 0.00 0.00 +0.164 A ATOM 32 N LIG 1 -6.699 1.770 -1.036 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -7.997 1.294 -0.640 0.00 0.00 +0.152 C ATOM 34 C LIG 1 -6.307 3.072 -1.072 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -5.049 3.140 -1.432 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -4.606 1.854 -1.635 0.00 0.00 -0.129 NA ENDBRANCH 26 31 BRANCH 28 37 ATOM 37 C LIG 1 -7.200 -3.069 -3.617 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -7.900 -3.560 -4.401 0.00 0.00 -0.191 NA ENDBRANCH 28 37 ENDBRANCH 5 25 BRANCH 3 39 ATOM 39 C LIG 1 -3.933 1.363 3.547 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -3.387 1.092 4.931 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -4.790 0.685 4.593 0.00 0.00 +0.010 C ENDBRANCH 3 39 TORSDOF 9