REMARK Name = BDB063346 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.145 0.700 -0.069 0.00 0.00 +0.203 A ATOM 2 N LIG 1 3.653 -0.103 -1.102 0.00 0.00 -0.253 N ATOM 3 C LIG 1 2.333 -0.462 -1.215 0.00 0.00 +0.173 A ATOM 4 N LIG 1 2.190 -1.244 -2.267 0.00 0.00 -0.129 NA ATOM 5 N LIG 1 3.422 -1.369 -2.874 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 1.437 0.053 -0.237 0.00 0.00 +0.045 A ATOM 7 C LIG 1 1.989 0.835 0.719 0.00 0.00 +0.126 A ATOM 8 C LIG 1 4.280 -0.657 -2.179 0.00 0.00 +0.232 A ATOM 9 N LIG 1 3.323 1.183 0.823 0.00 0.00 -0.223 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -0.016 -0.236 -0.187 0.00 0.00 -0.012 A ATOM 11 C LIG 1 -0.469 -1.560 -0.307 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -1.849 -1.849 -0.257 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -2.590 -3.056 -0.342 0.00 0.00 +0.027 A ATOM 14 C LIG 1 -3.921 -2.737 -0.233 0.00 0.00 +0.087 A ATOM 15 N LIG 1 -4.027 -1.372 -0.088 0.00 0.00 -0.344 N ATOM 16 C LIG 1 -2.765 -0.803 -0.098 0.00 0.00 +0.049 A ATOM 17 C LIG 1 -2.332 0.528 0.008 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -0.956 0.790 -0.042 0.00 0.00 +0.011 A BRANCH 15 19 ATOM 19 C LIG 1 -5.316 -0.691 0.047 0.00 0.00 +0.087 C ATOM 20 C LIG 1 -5.622 0.247 -1.131 0.00 0.00 +0.025 C ATOM 21 C LIG 1 -6.996 0.897 -0.981 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -7.143 1.602 0.365 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -6.861 0.656 1.530 0.00 0.00 +0.002 C ATOM 24 C LIG 1 -5.486 0.003 1.407 0.00 0.00 +0.025 C ENDBRANCH 15 19 ENDBRANCH 6 10 BRANCH 1 25 ATOM 25 N LIG 1 5.487 1.001 0.003 0.00 0.00 -0.307 N ATOM 26 H LIG 1 5.596 1.782 0.654 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 6.417 -0.036 0.455 0.00 0.00 +0.178 C BRANCH 27 30 ATOM 28 C LIG 1 9.981 1.008 0.527 0.00 0.00 +0.041 A ATOM 29 C LIG 1 8.983 0.220 -0.097 0.00 0.00 +0.046 A ATOM 30 C LIG 1 7.813 0.458 0.595 0.00 0.00 +0.122 A ATOM 31 O LIG 1 8.040 1.349 1.603 0.00 0.00 -0.466 OA ATOM 32 C LIG 1 9.357 1.676 1.554 0.00 0.00 +0.195 A ENDBRANCH 27 30 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 5