REMARK Name = BDB005037 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.603 -1.416 2.539 0.00 0.00 +0.138 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 1.686 -1.390 0.560 0.00 0.00 +0.033 A ATOM 3 C LIG 1 0.623 -1.005 1.394 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -0.494 -1.835 1.601 0.00 0.00 -0.029 A ATOM 5 C LIG 1 -0.551 -3.065 0.938 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.478 -3.448 0.081 0.00 0.00 +0.002 A ATOM 7 C LIG 1 1.580 -2.611 -0.111 0.00 0.00 +0.023 A BRANCH 2 8 ATOM 8 N LIG 1 2.746 -0.482 0.341 0.00 0.00 -0.299 N ATOM 9 H LIG 1 2.752 0.255 1.037 0.00 0.00 +0.154 HD BRANCH 8 12 ATOM 10 C LIG 1 6.180 0.153 -0.874 0.00 0.00 -0.029 A ATOM 11 C LIG 1 4.860 0.347 -0.444 0.00 0.00 +0.048 A ATOM 12 C LIG 1 4.071 -0.747 -0.078 0.00 0.00 +0.123 A ATOM 13 N LIG 1 4.556 -2.004 -0.140 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 5.832 -2.181 -0.541 0.00 0.00 +0.113 A ATOM 15 C LIG 1 6.676 -1.149 -0.910 0.00 0.00 +0.024 A BRANCH 10 16 ATOM 16 C LIG 1 7.043 1.327 -1.265 0.00 0.00 +0.153 C BRANCH 16 18 ATOM 17 N LIG 1 8.106 2.560 0.803 0.00 0.00 -0.196 NA ATOM 18 C LIG 1 7.636 2.007 -0.103 0.00 0.00 +0.067 C ENDBRANCH 16 18 ENDBRANCH 10 16 ENDBRANCH 8 12 ENDBRANCH 2 8 ENDBRANCH 1 4 BRANCH 1 19 ATOM 19 N LIG 1 -2.160 -0.115 2.175 0.00 0.00 -0.324 N ATOM 20 H LIG 1 -2.594 0.331 2.978 0.00 0.00 +0.148 HD BRANCH 19 21 ATOM 21 C LIG 1 -3.099 -0.108 1.119 0.00 0.00 +0.130 A ATOM 22 C LIG 1 -3.588 1.128 0.645 0.00 0.00 +0.041 A ATOM 23 C LIG 1 -4.544 1.076 -0.389 0.00 0.00 +0.088 A ATOM 24 C LIG 1 -5.053 2.302 -0.868 0.00 0.00 +0.063 A ATOM 25 C LIG 1 -4.618 3.534 -0.338 0.00 0.00 +0.015 A ATOM 26 C LIG 1 -3.665 3.573 0.667 0.00 0.00 +0.002 A ATOM 27 N LIG 1 -4.943 -0.115 -0.890 0.00 0.00 -0.235 NA ATOM 28 C LIG 1 -4.398 -1.225 -0.378 0.00 0.00 +0.223 A ATOM 29 C LIG 1 -3.153 2.378 1.153 0.00 0.00 +0.013 A ATOM 30 N LIG 1 -3.507 -1.279 0.608 0.00 0.00 -0.220 NA BRANCH 24 31 ATOM 31 C LIG 1 -6.077 2.397 -1.955 0.00 0.00 +0.244 C ATOM 32 O LIG 1 -6.539 3.476 -2.311 0.00 0.00 -0.270 OA ATOM 33 N LIG 1 -6.499 1.248 -2.555 0.00 0.00 -0.325 N ATOM 34 H LIG 1 -7.201 1.300 -3.278 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 -6.145 0.344 -2.255 0.00 0.00 +0.145 HD ENDBRANCH 24 31 ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 8