REMARK Name = BDB031836 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.423 -1.052 -1.997 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.143 0.320 -1.845 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.857 0.703 -1.446 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.168 -0.202 -1.209 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.294 0.598 -0.828 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -0.979 1.897 -0.832 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 0.097 -1.573 -1.383 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.309 1.929 -1.201 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.765 2.831 -1.268 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.384 -1.972 -1.777 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.526 0.161 1.997 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.202 -0.600 0.863 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.057 -0.597 -0.229 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.029 -1.279 -1.567 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.799 -1.507 -2.424 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.322 -0.852 -2.223 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.965 -0.002 -1.340 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.859 0.416 -1.541 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.704 -1.202 -3.327 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.485 -2.669 -1.732 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.238 0.156 -0.158 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.591 0.913 0.939 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.715 0.913 2.029 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.855 0.854 4.174 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.603 0.084 3.006 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.489 0.040 -0.520 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -2.568 -0.973 -0.567 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.721 0.600 -0.112 0.00 0.00 +0.095 A ATOM 29 C LIG 1 -4.821 -0.249 0.137 0.00 0.00 +0.238 A ATOM 30 N LIG 1 -6.051 0.158 0.522 0.00 0.00 -0.193 NA ATOM 31 C LIG 1 -6.186 1.496 0.686 0.00 0.00 +0.180 A ATOM 32 C LIG 1 -5.192 2.434 0.468 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -3.942 1.968 0.064 0.00 0.00 +0.032 A BRANCH 31 34 ATOM 34 S LIG 1 -7.813 2.025 1.169 0.00 0.00 +0.011 S ATOM 35 O LIG 1 -7.832 2.104 2.618 0.00 0.00 -0.168 OA ATOM 36 O LIG 1 -8.146 3.183 0.357 0.00 0.00 -0.168 OA ATOM 37 C LIG 1 -8.891 0.708 0.671 0.00 0.00 +0.202 C ENDBRANCH 31 34 BRANCH 29 38 ATOM 38 O LIG 1 -4.586 -1.607 -0.047 0.00 0.00 -0.478 OA ATOM 39 C LIG 1 -5.708 -2.421 0.279 0.00 0.00 +0.279 C ENDBRANCH 29 38 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6