REMARK Name = BDB020615 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.497 0.253 -1.478 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.022 -0.487 -0.297 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.928 -1.592 0.186 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.164 -0.121 0.276 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -1.843 1.006 -0.271 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -1.386 1.717 -1.378 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -2.267 2.738 -1.659 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -3.301 2.692 -0.692 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -3.011 1.629 0.142 0.00 0.00 +0.100 A ATOM 10 C LIG 1 -0.180 1.296 -1.992 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -4.473 3.544 -0.550 0.00 0.00 -0.014 A ATOM 12 C LIG 1 -4.993 3.861 0.706 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -6.109 4.679 0.774 0.00 0.00 +0.111 A ATOM 14 N LIG 1 -6.731 5.193 -0.307 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 -6.209 4.878 -1.511 0.00 0.00 +0.111 A ATOM 16 C LIG 1 -5.095 4.071 -1.683 0.00 0.00 +0.028 A ENDBRANCH 8 11 BRANCH 1 19 ATOM 17 N LIG 1 2.730 0.821 -2.133 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.598 1.628 -1.534 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 1.744 -0.132 -2.204 0.00 0.00 +0.245 C ATOM 20 O LIG 1 1.859 -1.215 -2.763 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 4.077 0.567 -2.588 0.00 0.00 +0.145 C BRANCH 21 28 ATOM 22 C LIG 1 7.349 -0.736 2.042 0.00 0.00 +0.063 C ATOM 23 C LIG 1 6.508 -0.501 0.827 0.00 0.00 +0.016 A ATOM 24 N LIG 1 6.074 0.781 0.603 0.00 0.00 -0.326 N ATOM 25 H LIG 1 6.318 1.521 1.249 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 5.286 1.160 -0.454 0.00 0.00 +0.254 A ATOM 27 O LIG 1 4.902 2.320 -0.581 0.00 0.00 -0.268 OA ATOM 28 C LIG 1 4.904 0.086 -1.431 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.337 -1.175 -1.204 0.00 0.00 -0.039 A ATOM 30 C LIG 1 5.037 -2.371 -2.065 0.00 0.00 +0.044 C ATOM 31 C LIG 1 6.158 -1.466 -0.036 0.00 0.00 +0.024 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 32 ATOM 32 C LIG 1 -1.833 -0.854 1.454 0.00 0.00 +0.101 C ATOM 33 C LIG 1 -1.221 -0.299 2.755 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 N LIG 1 -1.776 -2.336 1.349 0.00 0.00 -0.290 NA ATOM 35 C LIG 1 -2.515 -2.847 0.163 0.00 0.00 +0.113 C ATOM 36 C LIG 1 -4.046 -2.820 0.318 0.00 0.00 +0.175 C ATOM 37 O LIG 1 -4.471 -3.524 1.491 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -3.829 -3.006 2.663 0.00 0.00 +0.175 C ATOM 39 C LIG 1 -2.299 -3.061 2.529 0.00 0.00 +0.113 C ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 6