REMARK Name = BDB003721 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.631 -1.457 -0.102 0.00 0.00 +0.043 C ATOM 2 C LIG 1 -2.483 -0.259 0.154 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -3.581 0.042 -0.667 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -4.369 1.183 -0.450 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -4.081 2.036 0.612 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -3.015 1.745 1.456 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.938 -0.864 -1.773 0.00 0.00 +0.233 C ATOM 8 O LIG 1 -4.794 -0.571 -2.595 0.00 0.00 -0.283 OA ATOM 9 C LIG 1 -3.210 -2.192 -1.853 0.00 0.00 +0.228 C ATOM 10 O LIG 1 -3.587 -3.086 -2.597 0.00 0.00 -0.284 OA ATOM 11 C LIG 1 -2.229 0.610 1.232 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -2.018 -2.368 -1.008 0.00 0.00 +0.078 C ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -0.492 -1.642 0.677 0.00 0.00 -0.314 N ATOM 14 H LIG 1 -0.236 -2.627 0.757 0.00 0.00 +0.152 HD BRANCH 13 18 ATOM 15 C LIG 1 3.145 0.545 0.397 0.00 0.00 -0.048 A ATOM 16 C LIG 1 3.006 -0.531 1.278 0.00 0.00 +0.005 A ATOM 17 C LIG 1 1.803 -1.240 1.344 0.00 0.00 +0.023 A ATOM 18 C LIG 1 0.718 -0.905 0.520 0.00 0.00 +0.031 A ATOM 19 C LIG 1 0.859 0.183 -0.347 0.00 0.00 +0.023 A ATOM 20 C LIG 1 2.062 0.894 -0.417 0.00 0.00 +0.005 A BRANCH 15 22 ATOM 21 C LIG 1 5.383 0.697 -0.725 0.00 0.00 +0.009 C ATOM 22 C LIG 1 4.446 1.302 0.309 0.00 0.00 +0.032 C ENDBRANCH 15 22 ENDBRANCH 13 18 ENDBRANCH 1 13 TORSDOF 3