REMARK Name = BDB004891 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.335 -1.264 1.047 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -2.016 -2.502 1.643 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 2.494 -1.084 0.982 0.00 0.00 +0.034 A ATOM 4 C LIG 1 1.159 -1.177 0.578 0.00 0.00 +0.028 A ATOM 5 C LIG 1 0.113 -1.169 1.521 0.00 0.00 -0.026 A ATOM 6 C LIG 1 0.432 -1.056 2.883 0.00 0.00 +0.005 A ATOM 7 C LIG 1 1.761 -0.968 3.293 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.786 -0.980 2.346 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 3.564 -1.162 -1.290 0.00 0.00 +0.268 C ATOM 10 N LIG 1 3.583 -1.089 0.092 0.00 0.00 -0.280 N ATOM 11 H LIG 1 4.517 -1.028 0.491 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 2.582 -1.237 -2.018 0.00 0.00 -0.268 OA BRANCH 9 17 ATOM 13 C LIG 1 8.750 -1.109 -3.605 0.00 0.00 +0.067 C ATOM 14 C LIG 1 7.377 -1.123 -3.008 0.00 0.00 +0.056 A ATOM 15 N LIG 1 6.318 -1.224 -3.849 0.00 0.00 -0.256 NA ATOM 16 C LIG 1 5.092 -1.232 -3.264 0.00 0.00 +0.144 A ATOM 17 C LIG 1 4.930 -1.141 -1.891 0.00 0.00 +0.144 A ATOM 18 N LIG 1 5.985 -1.040 -1.030 0.00 0.00 -0.247 NA ATOM 19 C LIG 1 7.202 -1.034 -1.628 0.00 0.00 +0.134 A ENDBRANCH 9 17 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 N LIG 1 -2.027 -0.036 1.461 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -1.394 0.758 1.392 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.207 0.301 0.762 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -3.914 1.467 1.126 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -5.070 1.766 0.378 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -5.780 2.939 0.714 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -5.359 3.775 1.767 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -4.232 3.461 2.509 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -5.467 0.945 -0.620 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -4.734 -0.147 -0.864 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -3.517 2.315 2.192 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -3.626 -0.507 -0.222 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -7.016 3.385 -0.006 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -7.589 4.429 0.290 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -7.503 2.599 -1.008 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -7.032 1.736 -1.266 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -8.325 2.897 -1.514 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 6