REMARK Name = BDB057325 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.401 1.421 -0.379 0.00 0.00 +0.250 C ATOM 2 N LIG 1 -4.112 0.921 -0.377 0.00 0.00 -0.289 N ATOM 3 C LIG 1 -3.276 1.069 -1.604 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -2.027 0.455 -1.149 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -2.149 -0.023 0.118 0.00 0.00 +0.060 A ATOM 6 N LIG 1 -0.975 -0.585 0.454 0.00 0.00 -0.278 N ATOM 7 H LIG 1 -0.692 -1.058 1.307 0.00 0.00 +0.189 HD ATOM 8 N LIG 1 -0.076 -0.475 -0.550 0.00 0.00 -0.158 NA ATOM 9 C LIG 1 -0.718 0.163 -1.543 0.00 0.00 +0.152 A ATOM 10 C LIG 1 -3.458 0.166 0.729 0.00 0.00 +0.163 C ATOM 11 O LIG 1 -5.846 1.984 -1.385 0.00 0.00 -0.272 OA ENDROOT BRANCH 9 12 ATOM 12 N LIG 1 -0.195 0.460 -2.780 0.00 0.00 -0.265 N ATOM 13 H LIG 1 -0.844 0.791 -3.478 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 1.050 0.184 -3.288 0.00 0.00 +0.249 C ATOM 15 O LIG 1 1.238 0.272 -4.503 0.00 0.00 -0.270 OA BRANCH 14 16 ATOM 16 C LIG 1 2.198 -0.173 -2.429 0.00 0.00 +0.037 A ATOM 17 C LIG 1 2.612 0.666 -1.393 0.00 0.00 +0.015 A ATOM 18 C LIG 1 3.750 0.341 -0.642 0.00 0.00 +0.024 A ATOM 19 C LIG 1 4.506 -0.808 -0.919 0.00 0.00 +0.030 A ATOM 20 C LIG 1 4.080 -1.620 -1.986 0.00 0.00 +0.024 A ATOM 21 C LIG 1 2.945 -1.307 -2.742 0.00 0.00 +0.015 A BRANCH 19 22 ATOM 22 N LIG 1 5.656 -1.170 -0.204 0.00 0.00 -0.327 N ATOM 23 C LIG 1 5.852 -0.677 1.174 0.00 0.00 +0.120 C ATOM 24 C LIG 1 6.939 0.418 1.238 0.00 0.00 +0.103 C ATOM 25 N LIG 1 8.268 0.007 0.730 0.00 0.00 -0.302 NA ATOM 26 C LIG 1 9.203 -0.274 1.815 0.00 0.00 +0.105 C ATOM 27 C LIG 1 8.160 -1.160 -0.176 0.00 0.00 +0.103 C ATOM 28 C LIG 1 6.881 -1.151 -1.045 0.00 0.00 +0.120 C ENDBRANCH 19 22 ENDBRANCH 14 16 ENDBRANCH 9 12 BRANCH 1 29 ATOM 29 C LIG 1 -6.237 1.299 0.934 0.00 0.00 +0.233 C BRANCH 29 30 ATOM 30 C LIG 1 -6.676 -0.133 1.201 0.00 0.00 -0.010 A ATOM 31 C LIG 1 -7.254 -0.915 0.189 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -7.650 -2.229 0.445 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.489 -2.772 1.718 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.942 -1.998 2.740 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.544 -0.685 2.486 0.00 0.00 +0.006 A ENDBRANCH 29 30 BRANCH 29 37 ATOM 36 C LIG 1 -7.184 3.470 1.103 0.00 0.00 +0.195 C ATOM 37 O LIG 1 -7.433 2.078 0.965 0.00 0.00 -0.366 OA ENDBRANCH 29 37 ENDBRANCH 1 29 TORSDOF 6