REMARK Name = BDB010304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.498 -2.543 -0.814 0.00 0.00 +0.137 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 3.969 -1.091 -0.322 0.00 0.00 +0.040 A ATOM 3 C LIG 1 2.583 -1.235 -0.252 0.00 0.00 +0.037 A ATOM 4 C LIG 1 2.000 -2.337 -0.870 0.00 0.00 +0.056 A ATOM 5 N LIG 1 2.730 -3.272 -1.528 0.00 0.00 -0.259 NA ATOM 6 C LIG 1 4.072 -3.116 -1.559 0.00 0.00 +0.112 A ATOM 7 C LIG 1 4.733 -2.056 -0.972 0.00 0.00 +0.033 A BRANCH 2 10 ATOM 8 N LIG 1 3.967 1.241 0.379 0.00 0.00 -0.312 N ATOM 9 H LIG 1 3.115 1.339 -0.158 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 4.671 0.056 0.307 0.00 0.00 +0.244 C ATOM 11 O LIG 1 5.823 -0.076 0.703 0.00 0.00 -0.270 OA BRANCH 8 13 ATOM 12 C LIG 1 5.415 3.147 -0.182 0.00 0.00 +0.024 C ATOM 13 C LIG 1 4.585 2.449 0.883 0.00 0.00 +0.101 C ENDBRANCH 8 13 ENDBRANCH 2 10 ENDBRANCH 1 4 BRANCH 1 14 ATOM 14 N LIG 1 -0.243 -1.386 -1.337 0.00 0.00 -0.303 NA ATOM 15 H LIG 1 0.041 -1.246 -2.311 0.00 0.00 +0.123 HD BRANCH 14 16 ATOM 16 C LIG 1 -1.688 -1.674 -1.339 0.00 0.00 +0.178 C BRANCH 16 17 ATOM 17 C LIG 1 -2.447 -0.482 -1.938 0.00 0.00 +0.229 C ATOM 18 N LIG 1 -2.795 0.581 -1.106 0.00 0.00 -0.299 N ATOM 19 O LIG 1 -2.714 -0.481 -3.144 0.00 0.00 -0.274 OA BRANCH 18 20 ATOM 20 C LIG 1 -3.584 1.671 -1.680 0.00 0.00 +0.104 C ATOM 21 C LIG 1 -5.059 1.325 -1.824 0.00 0.00 +0.024 C ENDBRANCH 18 20 BRANCH 18 22 ATOM 22 C LIG 1 -2.472 0.646 0.326 0.00 0.00 +0.123 C BRANCH 22 23 ATOM 23 C LIG 1 -3.572 0.043 1.224 0.00 0.00 +0.102 C BRANCH 23 24 ATOM 24 N LIG 1 -3.281 -0.074 2.662 0.00 0.00 -0.307 NA ATOM 25 C LIG 1 -2.161 -0.967 2.946 0.00 0.00 +0.104 C ATOM 26 C LIG 1 -3.090 1.222 3.305 0.00 0.00 +0.104 C ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 1 14 TORSDOF 10