REMARK Name = BDB024815 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.717 -3.311 2.477 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -2.862 -1.946 2.163 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.061 -1.232 2.649 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -3.852 -0.723 4.081 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.503 -0.132 1.690 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.396 0.876 1.495 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.100 0.199 1.157 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.082 0.951 0.523 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.095 2.273 0.147 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.074 2.508 -0.415 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.860 1.376 -0.390 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.133 0.365 0.201 0.00 0.00 +0.070 A ATOM 13 C LIG 1 0.407 -0.970 0.481 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -0.601 -1.707 1.122 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -1.849 -1.165 1.477 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -1.810 -4.059 2.132 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -3.660 -5.155 3.605 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -3.747 -3.774 3.253 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 2.227 1.253 -0.863 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 2.265 0.791 -2.303 0.00 0.00 +0.233 C ATOM 21 N LIG 1 2.707 -0.495 -2.479 0.00 0.00 -0.308 N ATOM 22 H LIG 1 2.840 -1.132 -1.699 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 1.923 1.508 -3.240 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 2.669 -1.145 -3.770 0.00 0.00 +0.161 C BRANCH 24 25 ATOM 25 C LIG 1 2.960 -2.604 -3.587 0.00 0.00 +0.080 A ATOM 26 N LIG 1 3.121 -3.137 -2.361 0.00 0.00 -0.175 NA ATOM 27 N LIG 1 3.337 -4.445 -2.603 0.00 0.00 -0.274 N ATOM 28 C LIG 1 3.528 -5.352 -1.496 0.00 0.00 +0.172 C ATOM 29 C LIG 1 3.346 -4.757 -3.929 0.00 0.00 +0.108 A ATOM 30 C LIG 1 3.101 -3.582 -4.599 0.00 0.00 +0.046 A ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 0.490 3.828 -0.976 0.00 0.00 +0.097 C BRANCH 31 32 ATOM 32 C LIG 1 0.784 4.809 0.151 0.00 0.00 +0.151 C BRANCH 32 33 ATOM 33 N LIG 1 1.322 6.056 -0.353 0.00 0.00 -0.271 N ATOM 34 N LIG 1 2.627 6.134 -0.679 0.00 0.00 -0.180 NA ATOM 35 C LIG 1 2.770 7.393 -1.100 0.00 0.00 +0.134 A ATOM 36 C LIG 1 1.567 8.120 -1.036 0.00 0.00 +0.041 A ATOM 37 C LIG 1 0.645 7.225 -0.547 0.00 0.00 +0.108 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8