REMARK Name = BDB032063 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.709 -2.419 -1.608 0.00 0.00 +0.041 C ATOM 2 C LIG 1 0.253 -1.289 -0.681 0.00 0.00 +0.170 C ENDROOT BRANCH 2 3 ATOM 3 N LIG 1 -1.005 -0.653 -1.075 0.00 0.00 -0.335 N ATOM 4 C LIG 1 -1.953 -0.122 -0.233 0.00 0.00 +0.056 A ATOM 5 C LIG 1 -3.023 0.318 -0.986 0.00 0.00 +0.064 A ATOM 6 C LIG 1 -4.181 0.920 -0.335 0.00 0.00 +0.260 A ATOM 7 N LIG 1 -4.066 0.995 1.074 0.00 0.00 -0.318 N ATOM 8 C LIG 1 -2.939 0.545 1.771 0.00 0.00 +0.091 A ATOM 9 C LIG 1 -5.153 1.591 1.831 0.00 0.00 +0.152 C ATOM 10 O LIG 1 -5.153 1.316 -0.972 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -2.714 0.070 -2.341 0.00 0.00 +0.033 A ATOM 12 C LIG 1 -1.872 -0.015 1.171 0.00 0.00 +0.044 A ATOM 13 C LIG 1 -1.463 -0.514 -2.371 0.00 0.00 +0.088 A ENDBRANCH 2 3 BRANCH 2 14 ATOM 14 C LIG 1 1.382 -0.266 -0.512 0.00 0.00 +0.240 C ATOM 15 N LIG 1 2.347 -0.687 0.396 0.00 0.00 -0.283 N ATOM 16 H LIG 1 2.227 -1.597 0.830 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 1.425 0.784 -1.145 0.00 0.00 -0.273 OA BRANCH 15 18 ATOM 18 C LIG 1 3.522 0.001 0.797 0.00 0.00 +0.055 A ATOM 19 C LIG 1 4.375 -0.623 1.720 0.00 0.00 +0.080 A ATOM 20 CL LIG 1 4.028 -2.186 2.364 0.00 0.00 -0.080 Cl ATOM 21 C LIG 1 5.526 0.041 2.120 0.00 0.00 +0.132 A ATOM 22 N LIG 1 5.880 1.266 1.673 0.00 0.00 -0.262 NA ATOM 23 C LIG 1 5.045 1.849 0.787 0.00 0.00 +0.112 A ATOM 24 C LIG 1 3.872 1.266 0.327 0.00 0.00 +0.044 A ENDBRANCH 15 18 ENDBRANCH 2 14 TORSDOF 3