REMARK Name = BDB020661 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.105 1.009 -0.275 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.408 -0.364 -0.398 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.643 -1.444 -0.462 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.759 -0.558 -0.431 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -2.599 0.583 -0.268 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -2.116 1.885 -0.107 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -3.187 2.750 0.043 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -4.363 1.971 -0.042 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -3.980 0.659 -0.212 0.00 0.00 +0.092 A ATOM 10 C LIG 1 -0.707 2.073 -0.144 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -3.072 4.185 0.231 0.00 0.00 -0.016 A ATOM 12 C LIG 1 -3.654 5.059 -0.695 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -3.556 6.440 -0.516 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -2.882 6.955 0.592 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -2.308 6.090 1.523 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -2.404 4.708 1.345 0.00 0.00 +0.008 A ENDBRANCH 7 11 BRANCH 1 19 ATOM 17 N LIG 1 2.071 1.685 0.903 0.00 0.00 -0.307 N ATOM 18 H LIG 1 1.477 1.626 1.723 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 1.564 1.313 -0.317 0.00 0.00 +0.245 C ATOM 20 O LIG 1 2.221 1.190 -1.343 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 3.491 1.812 1.137 0.00 0.00 +0.145 C BRANCH 21 28 ATOM 22 C LIG 1 5.382 -3.111 3.591 0.00 0.00 +0.063 C ATOM 23 C LIG 1 4.940 -1.875 2.872 0.00 0.00 +0.016 A ATOM 24 N LIG 1 4.180 -0.977 3.579 0.00 0.00 -0.326 N ATOM 25 H LIG 1 3.935 -1.165 4.542 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 3.685 0.194 3.064 0.00 0.00 +0.254 A ATOM 27 O LIG 1 2.985 0.942 3.741 0.00 0.00 -0.268 OA ATOM 28 C LIG 1 4.027 0.502 1.635 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.780 -0.387 0.948 0.00 0.00 -0.039 A ATOM 30 C LIG 1 5.206 -0.247 -0.488 0.00 0.00 +0.044 C ATOM 31 C LIG 1 5.239 -1.610 1.593 0.00 0.00 +0.024 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 32 ATOM 32 C LIG 1 -2.443 -1.920 -0.645 0.00 0.00 +0.101 C ATOM 33 C LIG 1 -2.535 -2.612 0.729 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 N LIG 1 -1.809 -2.766 -1.681 0.00 0.00 -0.290 NA ATOM 35 C LIG 1 -1.786 -2.148 -3.017 0.00 0.00 +0.113 C ATOM 36 C LIG 1 -0.943 -3.002 -3.987 0.00 0.00 +0.175 C ATOM 37 O LIG 1 -1.173 -4.417 -3.909 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -2.365 -4.733 -3.196 0.00 0.00 +0.175 C ATOM 39 C LIG 1 -2.369 -4.130 -1.775 0.00 0.00 +0.113 C ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 6