REMARK Name = BDB031849 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.790 -2.221 -0.071 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.274 -1.343 -1.044 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.904 -1.060 -1.034 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.017 -1.616 -0.123 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.262 -1.070 -0.463 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -1.164 -0.231 -1.499 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 0.521 -2.513 0.837 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.137 -0.252 -1.824 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.446 0.317 -2.603 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.895 -2.802 0.844 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.169 2.031 1.310 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.110 0.631 1.229 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.081 -0.053 0.514 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.326 -1.509 0.233 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.264 -2.554 -0.046 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.606 -1.516 -0.572 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.992 -0.197 -0.732 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.828 0.068 -1.230 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.170 -2.511 -0.993 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.038 -2.568 1.257 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.111 0.678 -0.095 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.203 2.052 -0.036 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.211 2.733 0.678 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.158 4.010 2.165 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.154 2.594 2.036 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.379 -1.395 0.230 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -2.282 -1.997 1.045 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.734 -1.026 0.068 0.00 0.00 +0.096 A ATOM 29 C LIG 1 -4.681 -1.407 1.040 0.00 0.00 +0.236 A ATOM 30 N LIG 1 -6.000 -1.102 1.003 0.00 0.00 -0.219 NA ATOM 31 C LIG 1 -6.412 -0.370 -0.058 0.00 0.00 +0.127 A ATOM 32 C LIG 1 -5.564 0.084 -1.058 0.00 0.00 +0.057 A ATOM 33 C LIG 1 -4.215 -0.275 -1.005 0.00 0.00 +0.043 A BRANCH 32 34 ATOM 34 C LIG 1 -6.133 0.861 -2.176 0.00 0.00 +0.248 C ATOM 35 N LIG 1 -5.469 1.996 -2.639 0.00 0.00 -0.304 N ATOM 36 C LIG 1 -5.940 2.622 -3.862 0.00 0.00 +0.132 C ATOM 37 C LIG 1 -4.443 2.723 -1.902 0.00 0.00 +0.132 C ATOM 38 O LIG 1 -7.188 0.454 -2.661 0.00 0.00 -0.270 OA ENDBRANCH 32 34 BRANCH 29 39 ATOM 39 O LIG 1 -4.188 -2.155 2.103 0.00 0.00 -0.478 OA ATOM 40 C LIG 1 -5.198 -2.522 3.038 0.00 0.00 +0.279 C ENDBRANCH 29 39 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6